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(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5S)-6-[[3-[[5-[[3-[[(2R,3R,4S,5S)-6-[(2R,3R,4S,5S,6R)-6-carboxy-5-[(2S,3R,4R,5S,6S)-5-methoxy-4-oxidanyl-3-(sulfoamino)-6-(sulfomethyl)oxan-2-yl]oxy-4-oxidanyl-3-sulfooxy-oxan-2-yl]oxy-2,3,4,5-tetrakis(oxidanyl)hexyl]amino]phenyl]amino]-3-[[3-[[(2S,3R,4S,5R)-6-[(2R,3R,4S,5S,6R)-6-carboxy-5-[(2R,3R,4R,5S,6R)-5-methoxy-4-oxidanyl-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-4-oxidanyl-3-sulfooxy-oxan-2-yl]oxy-2,3,4,5-tetrakis(oxidanyl)hexyl]amino]phenyl]carbamoyl]-3-oxidanyl-5-

Systemtic Name:	(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5S)-6-[[3-[[5-[[3-[[(2R,3R,4S,5S)-6-[(2R,3R,4S,5S,6R)-6-carboxy-5-[(2S,3R,4R,5S,6S)-5-methoxy-4-oxidanyl-3-(sulfoamino)-6-(sulfomethyl)oxan-2-yl]oxy-4-oxidanyl-3-sulfooxy-oxan-2-yl]oxy-2,3,4,5-tetrakis(oxidanyl)hexyl]amino]phenyl]amino]-3-[[3-[[(2S,3R,4S,5R)-6-[(2R,3R,4S,5S,6R)-6-carboxy-5-[(2R,3R,4R,5S,6R)-5-methoxy-4-oxidanyl-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-4-oxidanyl-3-sulfooxy-oxan-2-yl]oxy-2,3,4,5-tetrakis(oxidanyl)hexyl]amino]phenyl]carbamoyl]-3-oxidanyl-5-
Openeye Name:	(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5S)-6-[3-[[5-[3-[[(2R,3R,4S,5S)-6-[(2R,3R,4S,5S,6R)-6-carboxy-4-hydroxy-5-[(2S,3R,4R,5S,6S)-4-hydroxy-5-methoxy-3-(sulfoamino)-6-(sulfomethyl)tetrahydropyran-2-yl]oxy-3-sulfooxy-tetrahydropyran-2-yl]oxy-2,3,4,5-tetrahydroxy-hexyl]amino]anilino]-3-[[3-[[(2S,3R,4S,5R)-6-[(2R,3R,4S,5S,6R)-6-carboxy-4-hydroxy-5-[(2R,3R,4R,5S,6R)-4-hydroxy-5-methoxy-3-(sulfoamino)-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-3-sulfooxy-tetrahydropyran-2-yl]oxy-2,3,4,5-tetrahydroxy-hexyl]amino]phenyl]c
CAS Name:	(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5S)-6-[3-[[5-[3-[[(2R,3R,4S,5S)-6-[[(2R,3R,4S,5S,6R)-6-carboxy-4-hydroxy-5-[[(2S,3R,4R,5S,6S)-4-hydroxy-5-methoxy-3-(sulfoamino)-6-(sulfomethyl)-2-oxanyl]oxy]-3-sulfooxy-2-oxanyl]oxy]-2,3,4,5-tetrahydroxyhexyl]amino]anilino]-3-[[3-[[(2S,3R,4S,5R)-6-[[(2R,3R,4S,5S,6R)-6-carboxy-4-hydroxy-5-[[(2R,3R,4R,5S,6R)-4-hydroxy-5-methoxy-3-(sulfoamino)-6-(sulfooxymethyl)-2-oxanyl]oxy]-3-sulfooxy-2-oxanyl]oxy]-2,3,4,5-tetrahydroxyhexyl]amino]anilino]-oxomethyl]-3-hydroxy-1,5-dioxopentyl]am
IUPAC Name:	(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5S)-6-[3-[[5-[3-[[(2R,3R,4S,5S)-6-[(2R,3R,4S,5S,6R)-6-carboxy-4-hydroxy-5-[(2S,3R,4R,5S,6S)-4-hydroxy-5-methoxy-3-(sulfoamino)-6-(sulfomethyl)oxan-2-yl]oxy-3-sulfooxyoxan-2-yl]oxy-2,3,4,5-tetrahydroxyhexyl]amino]anilino]-3-[[3-[[(2S,3R,4S,5R)-6-[(2R,3R,4S,5S,6R)-6-carboxy-4-hydroxy-5-[(2R,3R,4R,5S,6R)-4-hydroxy-5-methoxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-3-sulfooxyoxan-2-yl]oxy-2,3,4,5-tetrahydroxyhexyl]amino]phenyl]carbamoyl]-3-hydroxy-5-oxopentanoyl]amino]anilino
Traditional Name:	(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5S)-6-[3-[[5-[3-[[(2R,3R,4S,5S)-6-[(2R,3R,4S,5S,6R)-6-carboxy-4-hydroxy-5-[(2S,3R,4R,5S,6S)-4-hydroxy-5-methoxy-3-(sulfoamino)-6-(sulfomethyl)tetrahydropyran-2-yl]oxy-3-sulfoxy-tetrahydropyran-2-yl]oxy-2,3,4,5-tetrahydroxy-hexyl]amino]anilino]-3-[[3-[[(2S,3R,4S,5R)-6-[(2R,3R,4S,5S,6R)-6-carboxy-4-hydroxy-5-[(2R,3R,4R,5S,6R)-4-hydroxy-5-methoxy-3-(sulfoamino)-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-3-sulfoxy-tetrahydropyran-2-yl]oxy-2,3,4,5-tetrahydroxy-hexyl]amino]phenyl]carb
Formula:	C₈₁H₁₂₅N₉Na₁₂O₇₅S₉
MolecularWeight:	2989.33674

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(OC(C(C1O)NS(=O)(=O)O)OC2C(C(C(OC2C(=O)O)OCC(C(C(C(CNC3=CC=CC(=C3)NC(=O)CC(CC(=O)NC4=CC(=CC=C4)NCC(C(C(C(COC5C(C(C(C(O5)C(=O)O)OC6C(C(C(C(O6)CS(=O)(=O)O)OC)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)O)O)O)(C(=O)NC7=CC(=CC=C7)NCC(C(C(C(COC8C(C(C(C(O8)C(=O)O)OC9C(C(C(C(O9)COS(=O)(=O)O)OC)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)O)O)O)O)O)O)O)O)OS(=O)(=O)O)O)COS(=O)(=O)O.[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na]

Isomeric SMILES

CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)NS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@H]2C(=O)O)OC[C@H]([C@@H]([C@@H]([C@H](CNC3=CC=CC(=C3)NC(=O)C(CC(=O)NC4=CC(=CC=C4)NC[C@H]([C@H]([C@H]([C@H](CO[C@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)C(=O)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CS(=O)(=O)O)OC)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)O)O)O)(CC(=O)NC7=CC(=CC=C7)NC[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]8[C@@H]([C@H]([C@@H]([C@@H](O8)C(=O)O)OC9[C@@H]([C@H]([C@@H]([C@H](O9)COS(=O)(=O)O)OC)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)O)O)O)O)O)O)O)O)OS(=O)(=O)O)O)COS(=O)(=O)O.[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na]

InChI

InChI=1S/C81H125N9O75S9.12Na/c1-146-59-39(24-152-170(131,132)133)154-74(44(53(59)105)88-167(122,123)124)157-62-56(108)65(163-172(137,138)139)77(160-68(62)71(111)112)149-21-36(94)50(102)47(99)33(91)18-82-27-7-4-10-30(13-27)85-42(97)16-81(118,17-43(98)86-31-11-5-8-28(14-31)83-19-34(92)48(100)51(103)37(95)23-151-79-67(165-174(143,144)145)58(110)64(70(162-79)73(115)116)159-76-46(90-169(128,129)130)55(107)61(148-3)41(156-76)26-166(119,120)121)80(117)87-32-12-6-9-29(15-32)84-20-35(93)49(101)52(104)38(96)22-150-78-66(164-173(140,141)142)57(109)63(69(161-78)72(113)114)158-75-45(89-168(125,126)127)54(106)60(147-2)40(155-75)25-153-171(134,135)136;;;;;;;;;;;;/h4-15,33-41,44-70,74-79,82-84,88-96,99-110,118H,16-26H2,1-3H3,(H,85,97)(H,86,98)(H,87,117)(H,111,112)(H,113,114)(H,115,116)(H,119,120,121)(H,122,123,124)(H,125,126,127)(H,128,129,130)(H,131,132,133)(H,134,135,136)(H,137,138,139)(H,140,141,142)(H,143,144,145);;;;;;;;;;;;/t33-,34+,35-,36+,37-,38+,39+,40+,41+,44+,45+,46+,47+,48+,49+,50+,51-,52-