(2S,3S,4S,5R,6S)-6-[[(3S,6aR,6bS,7S,8R,8aR,9S,10R,14bR)-10-[(2S,3R,4R,5S,6S)-4-acetyloxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-7,8-bis(oxidanyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6S)-6-[[(3S,6aR,6bS,7S,8R,8aR,9S,10R,14bR)-10-[(2S,3R,4R,5S,6S)-4-acetyloxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-7,8-bis(oxidanyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-6-[[(3S,6aR,6bS,7S,8R,8aR,9S,10R,14bR)-10-[(2S,3R,4R,5S,6S)-4-acetoxy-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-6-[[(3S,6aR,6bS,7S,8R,8aR,9S,10R,14bR)-10-[[(2S,3R,4R,5S,6S)-4-acetyloxy-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(Z)-2-methyl-1-oxobut-2-enoxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-3-hydroxy-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-6-[[(3S,6aR,6bS,7S,8R,8aR,9S,10R,14bR)-10-[(2S,3R,4R,5S,6S)-4-acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-6-[[(3S,6aR,6bS,7S,8R,8aR,9S,10R,14bR)-10-[(2S,3R,4R,5S,6S)-4-acetoxy-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-7,8-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-8a-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid Formula: C60H94O27 MolecularWeight: 1247.37216

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)OC1C(C(CC2C1(C(C(C3(C2=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C)O)O)CO)(C)C)OC9C(C(C(C(O9)C)O)OC(=O)C)O

Isomeric SMILES

C/C=C(/C)\C(=O)O[C@@H]1[C@@H](C(CC2[C@]1([C@H]([C@H]([C@@]3(C2=CCC4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@@H]7[C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)C)C)C)O)O)CO)(C)C)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)OC(=O)C)O

InChI

InChI=1S/C60H94O27/c1-12-23(2)50(77)86-48-47(87-53-40(72)41(79-25(4)64)33(65)24(3)78-53)55(5,6)19-27-26-13-14-31-57(9)17-16-32(56(7,8)30(57)15-18-58(31,10)59(26,11)45(73)46(74)60(27,48)22-63)82-54-44(85-52-38(70)36(68)34(66)28(20-61)80-52)42(39(71)43(84-54)49(75)76)83-51-37(69)35(67)29(21-62)81-51/h12-13,24,27-48,51-54,61-63,65-74H,14-22H2,1-11H3,(H,75,76)/b23-12-/t24-,27?,28+,29+,30?,31?,32-,33-,34-,35+,36-,37-,38+,39-,40+,41+,42-,43-,44+,45+,46-,47-,48+,51+,52-,53-,54-,57-,58+,59-,60-/m0/s1