Glycoside
GD157361
Name:
2-(9a,11a-dimethyl-5-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-6-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-3-oneFormula:
C39H64O14Smiles:
CC(CCC(=O)C(C)C1CCC2C3CC(=O)C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC(=O)C(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 12 |
| MolWt: | 756.93 | Num_heavy_atoms: | 53 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD45445
Formula: C27H44O4
Smiles:
CC(CO)CCC(=O)C(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
