Glycoside
GD140752
Name:
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C24H26O14Smiles:
COc1cc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 538.46 | Num_heavy_atoms: | 38 |
| TPSA: | 217.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD52685
Formula: C18H16O9
Smiles:
COc1cc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2O)ccc1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 376.32 | Num_heavy_atoms: | 27 |
| TPSA: | 138.82 | NumAromaticRings: | 3 |
