Glycoside
GD122532
Name:
1-[1-(benzoyloxy)ethyl]-1,3a,3b-trihydroxy-7-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-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:
C49H66O14Smiles:
COC1CC(OC2C(C)OC(OC3CCC4(C)C(=CCC5(O)C4CC(OC(=O)c4ccccc4)C4(C)C(O)(C(C)OC(=O)c6ccccc6)CCC54O)C3)CC2OC)OC(C)C1OAglycone:
CC(OC(=O)c1ccccc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12CSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 5.42 | Num_rotatable_bonds: | 11 |
| MolWt: | 879.05 | Num_heavy_atoms: | 63 |
| TPSA: | 188.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD07168
Formula: C35H42O8
Smiles:
CC(OC(=O)c1ccccc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 590.71 | Num_heavy_atoms: | 43 |
| TPSA: | 133.52 | NumAromaticRings: | 2 |
