[2-[6-[[17-[1-[3-[6-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxyethyl]-10,13-dimethyl-16-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyl-oxan-3-yl]oxy-4-methoxy-6-methyl-5-oxidanyl-oxan-3-yl] ethanoate

Systemtic Name: [2-[6-[[17-[1-[3-[6-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxyethyl]-10,13-dimethyl-16-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyl-oxan-3-yl]oxy-4-methoxy-6-methyl-5-oxidanyl-oxan-3-yl] ethanoate Openeye Name: [5-hydroxy-2-[6-[[16-hydroxy-17-[1-[5-hydroxy-4-methoxy-6-methyl-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyl-tetrahydropyran-3-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [5-hydroxy-2-[[6-[[16-hydroxy-17-[1-[[5-hydroxy-4-methoxy-6-methyl-3-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-2-oxanyl]oxy]ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyl-3-oxanyl]oxy]-4-methoxy-6-methyl-3-oxanyl] ester IUPAC Name: [5-hydroxy-2-[6-[[16-hydroxy-17-[1-[5-hydroxy-4-methoxy-6-methyl-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxan-3-yl] acetate Traditional Name: acetic acid [5-hydroxy-2-[6-[[16-hydroxy-17-[1-[5-hydroxy-4-methoxy-6-methyl-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyl-tetrahydropyran-3-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-3-yl] ester Formula: C56H92O25 MolecularWeight: 1165.31468

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC(C)C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6CC(C(C(O6)C)OC7C(C(C(C(O7)C)O)OC)OC(=O)C)OC)C)C)O)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)OC)O

Isomeric SMILES

CC1C(C(C(C(O1)OC(C)C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6CC(C(C(O6)C)OC7C(C(C(C(O7)C)O)OC)OC(=O)C)OC)C)C)O)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)OC)O

InChI

InChI=1S/C56H92O25/c1-22(73-53-50(48(70-10)39(61)23(2)74-53)81-52-45(67)43(65)41(63)35(79-52)21-71-51-44(66)42(64)40(62)34(20-57)78-51)37-32(59)18-31-29-12-11-27-17-28(13-15-55(27,6)30(29)14-16-56(31,37)7)77-36-19-33(68-8)46(25(4)72-36)80-54-49(76-26(5)58)47(69-9)38(60)24(3)75-54/h11,22-25,28-54,57,59-67H,12-21H2,1-10H3