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undecasodium 4-acetyloxy-3-[4-acetyloxy-5-[4-acetyloxy-5-[4-acetyloxy-5-oxidanyl-3-(sulfonatoamino)-6-(sulfonatomethyl)oxan-2-yl]oxy-6-carboxylato-3-sulfonatooxy-oxan-2-yl]oxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[4-acetyloxy-6-[(E)-1-acetyloxy-4-oxidanidyl-4-oxidanylidene-but-2-en-2-yl]oxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxy-oxane-2-carboxylate

undecasodium 4-acetyloxy-3-[4-acetyloxy-5-[4-acetyloxy-5-[4-acetyloxy-5-oxidanyl-3-(sulfonatoamino)-6-(sulfonatomethyl)oxan-2-yl]oxy-6-carboxylato-3-sulfonatooxy-oxan-2-yl]oxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[4-acetyloxy-6-[(E)-1-acetyloxy-4-oxidanidyl-4-oxidanylidene-but-2-en-2-yl]oxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxy-oxane-2-carboxylate

Systemtic Name:undecasodium 4-acetyloxy-3-[4-acetyloxy-5-[4-acetyloxy-5-[4-acetyloxy-5-oxidanyl-3-(sulfonatoamino)-6-(sulfonatomethyl)oxan-2-yl]oxy-6-carboxylato-3-sulfonatooxy-oxan-2-yl]oxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[4-acetyloxy-6-[(E)-1-acetyloxy-4-oxidanidyl-4-oxidanylidene-but-2-en-2-yl]oxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxy-oxane-2-carboxylate
Openeye Name:undecasodium 4-acetoxy-3-[4-acetoxy-5-[4-acetoxy-5-[4-acetoxy-5-hydroxy-3-(sulfonatoamino)-6-(sulfonatomethyl)tetrahydropyran-2-yl]oxy-6-carboxylato-3-sulfonatooxy-tetrahydropyran-2-yl]oxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)tetrahydropyran-2-yl]oxy-6-[4-acetoxy-6-[(E)-1-(acetoxymethyl)-3-oxido-3-oxo-prop-1-enoxy]-5-(sulfonatoamino)-2-(sulfonatooxymethyl)tetrahydropyran-3-yl]oxy-5-sulfonatooxy-tetrahydropyran-2-carboxylate
CAS Name:undecasodium 4-acetyloxy-3-[[4-acetyloxy-5-[[4-acetyloxy-5-[[4-acetyloxy-5-hydroxy-3-(sulfonatoamino)-6-(sulfonatomethyl)-2-oxanyl]oxy]-6-carboxylato-3-sulfonatooxy-2-oxanyl]oxy]-3-(sulfonatoamino)-6-(sulfonatooxymethyl)-2-oxanyl]oxy]-6-[[4-acetyloxy-6-[(E)-1-acetyloxy-4-oxido-4-oxobut-2-en-2-yl]oxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)-3-oxanyl]oxy]-5-sulfonatooxy-2-oxanecarboxylate
IUPAC Name:undecasodium 4-acetyloxy-3-[4-acetyloxy-5-[4-acetyloxy-5-[4-acetyloxy-5-hydroxy-3-(sulfonatoamino)-6-(sulfonatomethyl)oxan-2-yl]oxy-6-carboxylato-3-sulfonatooxyoxan-2-yl]oxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[4-acetyloxy-6-[(E)-1-acetyloxy-4-oxido-4-oxobut-2-en-2-yl]oxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxyoxane-2-carboxylate
Traditional Name:undecasodium 4-acetoxy-3-[4-acetoxy-5-[4-acetoxy-5-[4-acetoxy-5-hydroxy-3-(sulfonatoamino)-6-(sulfonatomethyl)tetrahydropyran-2-yl]oxy-6-carboxylato-3-sulfato-tetrahydropyran-2-yl]oxy-6-(sulfatomethyl)-3-(sulfonatoamino)tetrahydropyran-2-yl]oxy-6-[4-acetoxy-6-[(E)-1-(acetoxymethyl)-3-keto-3-oxido-prop-1-enoxy]-2-(sulfatomethyl)-5-(sulfonatoamino)tetrahydropyran-3-yl]oxy-5-sulfato-tetrahydropyran-2-carboxylate
Formula: C46H56N3Na11O57S8
MolecularWeight: 2072.33021
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=CC(=O)[O-])OC1C(C(C(C(O1)COS(=O)(=O)[O-])OC2C(C(C(C(O2)C(=O)[O-])OC3C(C(C(C(O3)COS(=O)(=O)[O-])OC4C(C(C(C(O4)C(=O)[O-])OC5C(C(C(C(O5)CS(=O)(=O)[O-])O)OC(=O)C)NS(=O)(=O)[O-])OC(=O)C)OS(=O)(=O)[O-])OC(=O)C)NS(=O)(=O)[O-])OC(=O)C)OS(=O)(=O)[O-])OC(=O)C)NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]


Isomeric SMILES

CC(=O)OC/C(=C\C(=O)[O-])/OC1C(C(C(C(O1)COS(=O)(=O)[O-])OC2C(C(C(C(O2)C(=O)[O-])OC3C(C(C(C(O3)COS(=O)(=O)[O-])OC4C(C(C(C(O4)C(=O)[O-])OC5C(C(C(C(O5)CS(=O)(=O)[O-])O)OC(=O)C)NS(=O)(=O)[O-])OC(=O)C)OS(=O)(=O)[O-])OC(=O)C)NS(=O)(=O)[O-])OC(=O)C)OS(=O)(=O)[O-])OC(=O)C)NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]


InChI

InChI=1S/C46H67N3O57S8.11Na/c1-12(50)87-8-18(7-22(56)57)95-42-24(48-109(69,70)71)30(91-14(3)52)27(19(96-42)9-88-111(75,76)77)99-45-39(106-114(84,85)86)35(94-17(6)55)33(37(104-45)41(61)62)102-44-25(49-110(72,73)74)31(92-15(4)53)28(20(97-44)10-89-112(78,79)80)100-46-38(105-113(81,82)83)34(93-16(5)54)32(36(103-46)40(59)60)101-43-23(47-108(66,67)68)29(90-13(2)51)26(58)21(98-43)11-107(63,64)65;;;;;;;;;;;/h7,19-21,23-39,42-49,58H,8-11H2,1-6H3,(H,56,57)(H,59,60)(H,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86);;;;;;;;;;;/q;11*+1/p-11/b18-7+;;;;;;;;;;;


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