Glycoside
GD133295
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-{7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoateFormula:
C30H50O9Smiles:
CC(CCC(=O)OC1OC(CO)C(O)C(O)C1O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12CAglycone:
CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 554.72 | Num_heavy_atoms: | 39 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD05376
Formula: C24H40O4
Smiles:
CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.96 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 392.58 | Num_heavy_atoms: | 28 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
