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

Systemtic Name: 2-[6-(hydroxymethyl)-2-[(E)-6-methyl-7-oxidanyl-2-[4,4,8,10,14-pentamethyl-3,7-bis(oxidanyl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol Openeye Name: 2-[2-[(E)-1-(3,7-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-1,5-dimethyl-hex-4-enoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol CAS Name: 2-[[2-[(E)-2-(3,7-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-7-hydroxy-6-methylhept-5-en-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]oxy]-6-methyloxane-3,4,5-triol IUPAC Name: 2-[2-[(E)-2-(3,7-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-7-hydroxy-6-methylhept-5-en-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol Traditional Name: 2-[2-[(E)-1-(3,7-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-1,5-dimethyl-hex-4-enoxy]-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol Formula: C42H72O13 MolecularWeight: 785.01328

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(C(OC2OC(C)(CCC=C(C)CO)C3CCC4(C3CCC5C4(C(CC6C5(CCC(C6(C)C)O)C)O)C)C)CO)O)O)O)O)O

Isomeric SMILES

CC1C(C(C(C(O1)OC2C(C(C(OC2OC(C)(CC/C=C(\C)/CO)C3CCC4(C3CCC5C4(C(CC6C5(CCC(C6(C)C)O)C)O)C)C)CO)O)O)O)O)O

InChI

InChI=1S/C42H72O13/c1-21(19-43)10-9-15-41(7,55-37-35(33(50)31(48)25(20-44)53-37)54-36-34(51)32(49)30(47)22(2)52-36)24-13-17-40(6)23(24)11-12-26-39(5)16-14-28(45)38(3,4)27(39)18-29(46)42(26,40)8/h10,22-37,43-51H,9,11-20H2,1-8H3/b21-10+