Glycoside
GD119816
Name:
Ovatolactone 7-O-(6'-O-P-Hydroxybenzoyl)-Beta-D-GlucopyranosideFormula:
C22H28O10Smiles:
CC1C(OC2OC(COC(=O)c3ccc(O)cc3)C(O)C(O)C2O)CC2CCOC(=O)C21Aglycone:
CC1C(O)CC2CCOC(=O)C21.COC(=O)c1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.46 | Num_heavy_atoms: | 32 |
| TPSA: | 151.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD48064
Formula: C9H14O3
Smiles:
CC1C(O)CC2CCOC(=O)C21| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 170.21 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
