ethyl (2S,3S,4S,5R,6R)-6-[[(3S,6aR,8aS,14bR)-8a-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxycarbonyl-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,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-3-[(2R,3R,4R,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-2-carboxylate

Systemtic Name: ethyl (2S,3S,4S,5R,6R)-6-[[(3S,6aR,8aS,14bR)-8a-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxycarbonyl-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,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-3-[(2R,3R,4R,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-2-carboxylate Openeye Name: ethyl (2S,3S,4S,5R,6R)-6-[[(3S,6aR,8aS,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-hydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-[(2R,3R,4R,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5R,6R)-6-[[(3S,6aR,8aS,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[oxo-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]methyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-hydroxy-4-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-[[(2R,3R,4R,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S,4S,5R,6R)-6-[[(3S,6aR,8aS,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-hydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylate Traditional Name: (2S,3S,4S,5R,6R)-6-[[(3S,6aR,8aS,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-hydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3-[(2R,3R,4R,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid ethyl ester Formula: C55H88O23 MolecularWeight: 1117.27342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(C(O1)OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(CCC6(C5CC(CC6)(C)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(CO9)O)O)O

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3(C(C2(C)C)CC[C@@]4(C3CC=C5C4(CC[C@@]6(C5CC(CC6)(C)C)C(=O)O[C@H]7[C@@H]([C@@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C)O)O[C@H]8[C@@H]([C@@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@@H]9[C@@H]([C@@H]([C@@H](CO9)O)O)O

InChI

InChI=1S/C55H88O23/c1-9-70-44(68)43-42(76-45-37(64)32(59)26(58)23-71-45)41(75-46-38(65)35(62)33(60)27(21-56)72-46)40(67)48(77-43)74-31-13-14-52(6)29(51(31,4)5)12-15-54(8)30(52)11-10-24-25-20-50(2,3)16-18-55(25,19-17-53(24,54)7)49(69)78-47-39(66)36(63)34(61)28(22-57)73-47/h10,25-43,45-48,56-67H,9,11-23H2,1-8H3/t25?,26-,27-,28-,29?,30?,31+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43+,45-,46+,47+,48-,52+,53?,54-,55+/m1/s1