(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-4,5-bis(oxidanyl)-6-[[4,4,8,10,14-pentamethyl-17-[(5R)-2-methyl-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]-3,12-bis(oxidanyl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol

Systemtic Name: (2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-4,5-bis(oxidanyl)-6-[[4,4,8,10,14-pentamethyl-17-[(5R)-2-methyl-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]-3,12-bis(oxidanyl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]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-[[3,12-dihydroxy-17-[(5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-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-[[3,12-dihydroxy-17-[(5R)-5-(2-hydroxypropan-2-yl)-2-methyl-2-oxolanyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-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-[[3,12-dihydroxy-17-[(5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-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-[[3,12-dihydroxy-17-[(5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol Formula: C42H72O14 MolecularWeight: 801.01268

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3CC4(C(CC(C5C4(CCC5C6(CCC(O6)C(C)(C)O)C)C)O)C7(C3C(C(CC7)O)(C)C)C)C)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)OC3CC4(C(CC(C5C4(CCC5C6(CC[C@@H](O6)C(C)(C)O)C)C)O)C7(C3C(C(CC7)O)(C)C)C)C)CO)O)O)O

InChI

InChI=1S/C42H72O14/c1-19-28(46)29(47)31(49)35(52-19)55-33-23(18-43)54-36(32(50)30(33)48)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20?,21?,22?,23-,24?,25?,26-,27?,28+,29-,30-,31-,32-,33-,34?,35+,36-,39?,40?,41?,42?/m1/s1