(2S,3S,5R,6R)-6-[(2S,3S,4R,5S,6R)-6-[(2S,3R,5S,6S)-2-carboxylato-5-methoxy-6-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-oxan-3-yl]oxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,3R,5S,6R)-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-methoxy-oxane-2-carboxylate

Systemtic Name: (2S,3S,5R,6R)-6-[(2S,3S,4R,5S,6R)-6-[(2S,3R,5S,6S)-2-carboxylato-5-methoxy-6-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-oxan-3-yl]oxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,3R,5S,6R)-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-methoxy-oxane-2-carboxylate Openeye Name: (2S,3S,5R,6R)-6-[(2S,3S,4R,5S,6R)-6-[(2S,3R,5S,6S)-2-carboxylato-5-methoxy-6-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)tetrahydropyran-3-yl]oxy-3-[(2S,3R,5S,6R)-3,5-disulfonatooxy-6-(sulfonatooxymethyl)tetrahydropyran-2-yl]oxy-5-methoxy-tetrahydropyran-2-carboxylate CAS Name: (2S,3S,5R,6R)-6-[[(2S,3S,4R,5S,6R)-6-[[(2S,3R,5S,6S)-2-carboxylato-5-methoxy-6-[[(2R,3R,4S,5R,6R)-6-methoxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)-3-oxanyl]oxy]-3-oxanyl]oxy]-4,5-disulfonatooxy-2-(sulfonatooxymethyl)-3-oxanyl]oxy]-3-[[(2S,3R,5S,6R)-3,5-disulfonatooxy-6-(sulfonatooxymethyl)-2-oxanyl]oxy]-5-methoxy-2-oxanecarboxylate IUPAC Name: (2S,3S,5R,6R)-6-[(2S,3S,4R,5S,6R)-6-[(2S,3R,5S,6S)-2-carboxylato-5-methoxy-6-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,3R,5S,6R)-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-methoxyoxane-2-carboxylate Traditional Name: (2S,3S,5R,6R)-6-[(2S,3S,4R,5S,6R)-6-[(2S,3R,5S,6S)-2-carboxylato-5-methoxy-6-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-disulfato-2-(sulfatomethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-4,5-disulfato-2-(sulfatomethyl)tetrahydropyran-3-yl]oxy-3-[(2S,3R,5S,6R)-3,5-disulfato-6-(sulfatomethyl)tetrahydropyran-2-yl]oxy-5-methoxy-tetrahydropyran-2-carboxylate Formula: C33H43O52S9-11 MolecularWeight: 1560.24832

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(C(OC1OC2C(OC(C(C2OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC3CC(C(OC3C(=O)[O-])OC4C(OC(C(C4OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC)COS(=O)(=O)[O-])OC)COS(=O)(=O)[O-])C(=O)[O-])OC5C(CC(C(O5)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-]

Isomeric SMILES

CO[C@@H]1C[C@@H]([C@H](O[C@H]1O[C@H]2[C@@H](O[C@H]([C@H]([C@@H]2OS(=O)(=O)[O-])OS(=O)(=O)[O-])O[C@@H]3C[C@@H]([C@H](O[C@@H]3C(=O)[O-])O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC)COS(=O)(=O)[O-])OC)COS(=O)(=O)[O-])C(=O)[O-])O[C@@H]5[C@@H](C[C@@H]([C@H](O5)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-]

InChI

InChI=1S/C33H54O52S9/c1-65-13-5-11(71-31-15(81-90(50,51)52)4-10(80-89(47,48)49)16(73-31)7-68-86(38,39)40)21(27(34)35)78-29(13)77-20-18(9-70-88(44,45)46)75-33(26(85-94(62,63)64)24(20)83-92(56,57)58)72-12-6-14(66-2)30(79-22(12)28(36)37)76-19-17(8-69-87(41,42)43)74-32(67-3)25(84-93(59,60)61)23(19)82-91(53,54)55/h10-26,29-33H,4-9H2,1-3H3,(H,34,35)(H,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)/p-11/t10-,11-,12+,13+,14-,15+,16+,17+,18-,19+,20-,21-,22-,23-,24+,25+,26-,29+,30-,31-,32+,33+/m0/s1