Glycoside
GD155686
Name:
3a-hydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl acetateFormula:
C32H44O11Smiles:
CC(=O)OC1CC2(O)C3CCC4=CC(OC5OC(CO)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:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 604.69 | Num_heavy_atoms: | 43 |
| TPSA: | 176.12 | 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 |
