Glycoside
GD122394
Name:
5,7,4'-Trihydroxy-6,8,3'-Trimethoxyflavone 7-(3-Hydroxy-3-Methylglutarate)-4'-GlucosideFormula:
C30H34O17Smiles:
COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC(=O)CC(C)(O)CC(=O)O)c(OC)c3o2)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC(=O)CC(C)(O)CC(=O)O)c(OC)c3o2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 12 |
| MolWt: | 666.59 | Num_heavy_atoms: | 47 |
| TPSA: | 261.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD49316
Formula: C24H24O12
Smiles:
COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC(=O)CC(C)(O)CC(=O)O)c(OC)c3o2)ccc1O| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 9 |
| MolWt: | 504.44 | Num_heavy_atoms: | 36 |
| TPSA: | 182.19 | NumAromaticRings: | 3 |
