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

(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8R,8aR,9R,10R,14bR)-10-[(2S,3R,4S,5S,6S)-5-acetyloxy-6-methyl-4-[(Z)-2-methylbut-2-enoyl]oxy-3-oxidanyl-oxan-2-yl]oxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-8,9-bis(oxidanyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4R,5S)-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,6R)-6-[[(3S,6aR,6bS,8R,8aR,9R,10R,14bR)-10-[(2S,3R,4S,5S,6S)-5-acetyloxy-6-methyl-4-[(Z)-2-methylbut-2-enoyl]oxy-3-oxidanyl-oxan-2-yl]oxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-8,9-bis(oxidanyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4R,5S)-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,6R)-6-[[(3S,6aR,6bS,8R,8aR,9R,10R,14bR)-10-[(2S,3R,4S,5S,6S)-5-acetoxy-3-hydroxy-6-methyl-4-[(Z)-2-methylbut-2-enoyl]oxy-tetrahydropyran-2-yl]oxy-8,9-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4R,5S)-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,6R)-6-[[(3S,6aR,6bS,8R,8aR,9R,10R,14bR)-10-[[(2S,3R,4S,5S,6S)-5-acetyloxy-3-hydroxy-6-methyl-4-[(Z)-2-methyl-1-oxobut-2-enoxy]-2-oxanyl]oxy]-8,9-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[[(2S,3R,4R,5S)-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,6R)-6-[[(3S,6aR,6bS,8R,8aR,9R,10R,14bR)-10-[(2S,3R,4S,5S,6S)-5-acetyloxy-3-hydroxy-6-methyl-4-[(Z)-2-methylbut-2-enoyl]oxyoxan-2-yl]oxy-8,9-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4R,5S)-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,6R)-6-[[(3S,6aR,6bS,8R,8aR,9R,10R,14bR)-10-[(2S,3R,4S,5S,6S)-5-acetoxy-3-hydroxy-6-methyl-4-[(Z)-2-methylbut-2-enoyl]oxy-tetrahydropyran-2-yl]oxy-8,9-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4R,5S)-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: C60H94O26
MolecularWeight: 1231.37276
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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)OC1C(C(OC(C1OC(=O)C)C)OC2C(C3(C(CC2(C)C)C4=CCC5C6(CCC(C(C6CCC5(C4(CC3O)C)C)(C)C)OC7C(C(C(C(O7)C(=O)O)O)OC8C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O)O


Isomeric SMILES

C/C=C(/C)\C(=O)O[C@H]1[C@H]([C@@H](O[C@H]([C@@H]1OC(=O)C)C)O[C@H]2[C@@H]([C@@]3([C@@H](C[C@@]4(C(=CCC5[C@]4(CCC6[C@@]5(CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O[C@H]8[C@@H]([C@H]([C@@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)C)C)C3CC2(C)C)C)O)CO)O)O


InChI

InChI=1S/C60H94O26/c1-12-24(2)50(76)82-44-41(72)53(77-25(3)42(44)78-26(4)64)86-48-47(73)60(23-63)28(19-55(48,5)6)27-13-14-32-57(9)17-16-34(56(7,8)31(57)15-18-58(32,10)59(27,11)20-33(60)65)81-54-46(85-52-39(70)37(68)35(66)29(21-61)79-52)43(40(71)45(84-54)49(74)75)83-51-38(69)36(67)30(22-62)80-51/h12-13,25,28-48,51-54,61-63,65-73H,14-23H2,1-11H3,(H,74,75)/b24-12-/t25-,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


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