Glycoside
GD116265
Name:
1-[1-(benzoyloxy)ethyl]-3a,10-dihydroxy-7-({4-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3-methoxy-5-methyloxan-2-yl}oxy)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl benzoateFormula:
C49H66O13Smiles:
COC1CC(OC2C(C)COC(OC3CCC4(C)C(=CCC5C4C(O)C(OC(=O)c4ccccc4)C4(C)C(C(C)OC(=O)c6ccccc6)CCC54O)C3)C2OC)OC(C)C1OAglycone:
CC(OC(=O)c1ccccc1)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3C(O)C(OC(=O)c3ccccc3)C12CSugarmoiety:
COC1CC(OC2C(C)COC(O)C2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 6.02 | Num_rotatable_bonds: | 11 |
| MolWt: | 863.05 | Num_heavy_atoms: | 62 |
| TPSA: | 168.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD46137
Formula: C35H42O7
Smiles:
CC(OC(=O)c1ccccc1)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3C(O)C(OC(=O)c3ccccc3)C12C| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 5.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 574.71 | Num_heavy_atoms: | 42 |
| TPSA: | 113.29 | NumAromaticRings: | 2 |
