2-[(2R,3S,4S,5R)-6-[(1R)-1-[(3S,5R,7S,8R)-3-[(5S)-5-[(3S)-3-[(2R,4S,5S)-4,5-dimethoxy-6-methyl-oxan-2-yl]oxy-5-[(3S,5R,6S)-3,5,6-trimethyl-6-oxidanyl-oxan-2-yl]oxolan-2-yl]-5-methyl-oxolan-2-yl]-3,8-dimethyl-7-oxidanyl-4,10-dioxaspiro[4.5]decan-9-yl]ethyl]-5-methoxy-3-methyl-2,4-bis(oxidanyl)oxan-2-yl]ethanoic acid

Systemtic Name: 2-[(2R,3S,4S,5R)-6-[(1R)-1-[(3S,5R,7S,8R)-3-[(5S)-5-[(3S)-3-[(2R,4S,5S)-4,5-dimethoxy-6-methyl-oxan-2-yl]oxy-5-[(3S,5R,6S)-3,5,6-trimethyl-6-oxidanyl-oxan-2-yl]oxolan-2-yl]-5-methyl-oxolan-2-yl]-3,8-dimethyl-7-oxidanyl-4,10-dioxaspiro[4.5]decan-9-yl]ethyl]-5-methoxy-3-methyl-2,4-bis(oxidanyl)oxan-2-yl]ethanoic acid Openeye Name: 2-[(2R,3S,4S,5R)-6-[(1R)-1-[(3S,5R,7S,8R)-3-[(5S)-5-[(3S)-3-[(2R,4S,5S)-4,5-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-5-[(3S,5R,6S)-6-hydroxy-3,5,6-trimethyl-tetrahydropyran-2-yl]tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-7-hydroxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]ethyl]-2,4-dihydroxy-5-methoxy-3-methyl-tetrahydropyran-2-yl]acetic acid CAS Name: 2-[(2R,3S,4S,5R)-6-[(1R)-1-[(3S,5R,7S,8R)-3-[(5S)-5-[(3S)-3-[[(2R,4S,5S)-4,5-dimethoxy-6-methyl-2-oxanyl]oxy]-5-[(3S,5R,6S)-6-hydroxy-3,5,6-trimethyl-2-oxanyl]-2-oxolanyl]-5-methyl-2-oxolanyl]-7-hydroxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]ethyl]-2,4-dihydroxy-5-methoxy-3-methyl-2-oxanyl]acetic acid IUPAC Name: 2-[(2R,3S,4S,5R)-6-[(1R)-1-[(3S,5R,7S,8R)-3-[(5S)-5-[(3S)-3-[(2R,4S,5S)-4,5-dimethoxy-6-methyloxan-2-yl]oxy-5-[(3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-7-hydroxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]ethyl]-2,4-dihydroxy-5-methoxy-3-methyloxan-2-yl]acetic acid Traditional Name: 2-[(2R,3S,4S,5R)-6-[(1R)-1-[(3S,5R,7S,8R)-3-[(5S)-5-[(3S)-3-[(2R,4S,5S)-4,5-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-5-[(3S,5R,6S)-6-hydroxy-3,5,6-trimethyl-tetrahydropyran-2-yl]tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-7-hydroxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]ethyl]-2,4-dihydroxy-5-methoxy-3-methyl-tetrahydropyran-2-yl]acetic acid Formula: C46H78O17 MolecularWeight: 903.10132

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(OC1C2CC(C(O2)C3(CCC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)C6C(C(C(C(O6)(CC(=O)O)O)C)O)OC)C)O)C)C)OC7CC(C(C(O7)C)OC)OC)(C)O)C

Isomeric SMILES

C[C@H]1C[C@H]([C@@](OC1C2C[C@@H](C(O2)[C@@]3(CCC(O3)[C@@]4(CC[C@@]5(O4)C[C@@H]([C@H](C(O5)[C@@H](C)C6[C@@H]([C@H]([C@@H]([C@](O6)(CC(=O)O)O)C)O)OC)C)O)C)C)O[C@@H]7C[C@@H]([C@H](C(O7)C)OC)OC)(C)O)C

InChI

InChI=1S/C46H78O17/c1-22-17-23(2)44(9,51)60-36(22)30-18-31(57-34-19-29(53-10)39(54-11)27(6)56-34)41(58-30)43(8)14-13-32(59-43)42(7)15-16-45(63-42)20-28(47)24(3)37(61-45)25(4)38-40(55-12)35(50)26(5)46(52,62-38)21-33(48)49/h22-32,34-41,47,50-52H,13-21H2,1-12H3,(H,48,49)/t22-,23+,24+,25+,26-,27?,28-,29-,30?,31-,32?,34+,35-,36?,37?,38?,39-,40+,41?,42-,43-,44-,45+,46+/m0/s1