Glycoside
GD123600
Name:
Homobutein 4-GlucosideFormula:
C22H24O10Smiles:
COc1cc(C=CC(=O)c2ccc(O)cc2O)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C=CC(=O)c2ccc(O)cc2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 448.42 | Num_heavy_atoms: | 32 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD45848
Formula: C16H14O5
Smiles:
COc1cc(C=CC(=O)c2ccc(O)cc2O)ccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
