Glycoside
GD120504
Name:
2-(4-hydroxy-2,3-dimethoxyphenyl)-7,8-dimethoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C25H28O13Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(=O)cc(-c3ccc(O)c(OC)c3OC)oc2c1OCAglycone:
COc1cc(O)c2c(=O)cc(-c3ccc(O)c(OC)c3OC)oc2c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 536.49 | Num_heavy_atoms: | 38 |
| TPSA: | 186.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD48420
Formula: C19H18O8
Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(O)c(OC)c3OC)oc2c1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.35 | Num_heavy_atoms: | 27 |
| TPSA: | 107.59 | NumAromaticRings: | 3 |
