Glycoside
GD108166
Name:
6-({1-acetyl-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C27H38O9Smiles:
CC(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12CAglycone:
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 506.59 | Num_heavy_atoms: | 36 |
| TPSA: | 150.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD44413
Formula: C21H30O3
Smiles:
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 330.47 | Num_heavy_atoms: | 24 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
