Glycoside
GD128454
Name:
6-({1-acetyl-1-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C27H42O9Smiles:
CC(=O)C1(O)CCC2C3CCC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3CCC21CAglycone:
CC(=O)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3CCC21CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 510.62 | Num_heavy_atoms: | 36 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD52028
Formula: C21H34O3
Smiles:
CC(=O)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3CCC21C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.5 | Num_heavy_atoms: | 24 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
