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methyl (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-[[(1S,3R,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18,20,21-trimethyl-19,25,27,30,31,33,35,37-octakis(oxidanyl)-23-oxidanylidene-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaen-38-yl]carbonylamino]-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18,20,21-trimethyl-19,25,27,30,31,33,35,37-octakis(oxidanyl)-23-oxidan

Systemtic Name:	methyl (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-[[(1S,3R,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18,20,21-trimethyl-19,25,27,30,31,33,35,37-octakis(oxidanyl)-23-oxidanylidene-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaen-38-yl]carbonylamino]-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18,20,21-trimethyl-19,25,27,30,31,33,35,37-octakis(oxidanyl)-23-oxidan
Openeye Name:	methyl (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-[[(1S,3R,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carbonyl]amino]-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-diox
CAS Name:	(1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[[(2R,3S,4S,5S,6R)-4-[[[(1S,3R,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaen-38-yl]-oxomethyl]amino]-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatr
IUPAC Name:	methyl (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-[[(1S,3R,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carbonyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatria
Traditional Name:	(1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-[[(1S,3R,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-23-keto-18,20,21-trimethyl-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carbonyl]amino]-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-23-keto-18,20,21-trimethyl-22,39-dioxabicy
Formula:	C₉₅H₁₄₆N₂O₃₃
MolecularWeight:	1844.16934

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)NC3C(C(OC(C3O)OC4CC5C(C(CC(O5)(CC(CC(C(CCC(CC(CC(=O)OC(C(C(C(C=CC=CC=CC=CC=CC=CC=C4)C)O)C)C)O)O)O)O)O)O)O)C(=O)OC)C)O)OC6C(C(C(C(O6)C)O)N)O

Isomeric SMILES

C[C@H]1C=CC=CC=CC=CC=CC=CC=C[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)N[C@H]3[C@@H]([C@H](O[C@H]([C@H]3O)O[C@@H]\4C[C@H]5[C@@H]([C@H](C[C@](O5)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]([C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C4)C)O)C)C)O)O)O)O)O)O)O)C(=O)OC)C)O)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)C)O)N)O

InChI

InChI=1S/C95H146N2O33/c1-54-34-30-26-22-18-14-10-12-16-20-24-28-32-36-68(127-92-88(116)82(96)86(114)60(7)125-92)48-76-80(74(108)52-94(120,129-76)50-66(102)44-72(106)70(104)40-38-62(98)42-64(100)46-78(110)123-58(5)56(3)84(54)112)90(118)97-83-87(115)61(8)126-93(89(83)117)128-69-37-33-29-25-21-17-13-11-15-19-23-27-31-35-55(2)85(113)57(4)59(6)124-79(111)47-65(101)43-63(99)39-41-71(105)73(107)45-67(103)51-95(121)53-75(109)81(91(119)122-9)77(49-69)130-95/h10-37,54-77,80-89,92-93,98-109,112-117,120-121H,38-53,96H2,1-9H3,(H,97,118)/b12-10?,13-11+,18-14?,19-15+,20-16?,21-17+,26-22?,27-23+,28-24?,29-25+,34-30?,35-31+,36-32?,37-33+/t54-,55-,56-,57-,58-,59-,60+,61+,62+,63+,64+,65+,66-,67-,68-,69-,70+,71+,72+,73+,74-,75-,76-,77-,80+,81+,82-,83-,84+,85+,86+,87+,88-,89-,92-,93-,94+,95+/m0/s1

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