Glycoside
GD148530
Name:
1-[1-(benzoyloxy)ethyl]-1,3a,3b-trihydroxy-7-[(5-hydroxy-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:
C42H54O11Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(OC(=O)c3ccccc3)C3(C)C(O)(C(C)OC(=O)c5ccccc5)CCC43O)C2)OC(C)C1OAglycone:
CC(OC(=O)c1ccccc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 734.88 | Num_heavy_atoms: | 53 |
| TPSA: | 161.21 | 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 |
