(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aS,14aR,14bS)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-8-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol

Systemtic Name: (2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aS,14aR,14bS)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-8-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol Openeye Name: (2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aS,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol CAS Name: (2S,3R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aS,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-6-methyloxane-3,4,5-triol IUPAC Name: (2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aS,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol Traditional Name: (2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aS,14aR,14bS)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-methylol-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-4,5-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol Formula: C48H78O17 MolecularWeight: 927.12272

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC4CCC5(C(C4(C)C)CCC6(C5C=CC7=C8CC(CCC8(C(CC76C)O)CO)(C)C)C)C)O)O)O)CO)O)O)O

Isomeric SMILES

C[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O[C@H]4CC[C@]5([C@H](C4(C)C)CC[C@@]6([C@@H]5C=CC7=C8CC(CC[C@@]8([C@@H](C[C@]76C)O)CO)(C)C)C)C)O)O)O)CO)O)O)O

InChI

InChI=1S/C48H78O17/c1-22-31(52)33(54)36(57)41(61-22)65-39-25(19-49)62-40(38(59)35(39)56)60-20-26-32(53)34(55)37(58)42(63-26)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-23-24-17-43(2,3)15-16-48(24,21-50)29(51)18-47(23,46)8/h9-10,22,25-42,49-59H,11-21H2,1-8H3/t22-,25-,26-,27+,28-,29-,30+,31+,32-,33-,34+,35-,36-,37-,38-,39-,40-,41+,42+,45+,46-,47-,48-/m1/s1