Glycoside
GD150193
Name:
3a-hydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl acetateFormula:
C32H44O10Smiles:
CC(=O)OC1CC2(O)C3CCC4=CC(OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC2(C)C1c1ccc(=O)oc1Aglycone:
CC(=O)OC1CC2(O)C3CCC4=CC(O)CCC4(C)C3CCC2(C)C1c1ccc(=O)oc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 588.69 | Num_heavy_atoms: | 42 |
| TPSA: | 155.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD60010
Formula: C26H34O6
Smiles:
CC(=O)OC1CC2(O)C3CCC4=CC(O)CCC4(C)C3CCC2(C)C1c1ccc(=O)oc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 442.55 | Num_heavy_atoms: | 32 |
| TPSA: | 96.97 | NumAromaticRings: | 1 |
