Glycoside
GD128660
Name:
1-(11-hydroxy-3a,3b,6,6,9a-pentamethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)ethan-1-oneFormula:
C30H50O8Smiles:
CC(=O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12CAglycone:
CC(=O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 538.72 | Num_heavy_atoms: | 38 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD52116
Formula: C24H40O3
Smiles:
CC(=O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.96 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 376.58 | Num_heavy_atoms: | 27 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
