Glycoside
GD135359
Name:
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C27H32O14Smiles:
COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)cc1OCAglycone:
COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2O)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 10 |
| MolWt: | 580.54 | Num_heavy_atoms: | 41 |
| TPSA: | 184.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD47750
Formula: C21H22O9
Smiles:
COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2O)cc1OC| HBA: | 9 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 105.82 | NumAromaticRings: | 3 |
