Glycoside
GD144756
Name:
5,7,8-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C23H24O14Smiles:
COc1cc(-c2oc3c(O)c(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(-c2oc3c(O)c(O)cc(O)c3c(=O)c2O)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 524.43 | Num_heavy_atoms: | 37 |
| TPSA: | 228.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD58145
Formula: C17H14O9
Smiles:
COc1cc(-c2oc3c(O)c(O)cc(O)c3c(=O)c2O)cc(OC)c1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.12 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 362.29 | Num_heavy_atoms: | 26 |
| TPSA: | 149.82 | NumAromaticRings: | 3 |
