Glycoside
GD140634
Name:
2-(2,3-dimethoxyphenyl)-7,8-dimethoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C25H28O12Smiles:
COc1cccc(-c2cc(=O)c3c(OC4OC(CO)C(O)C(O)C4O)cc(OC)c(OC)c3o2)c1OCAglycone:
COc1cccc(-c2cc(=O)c3c(O)cc(OC)c(OC)c3o2)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 520.49 | Num_heavy_atoms: | 37 |
| TPSA: | 166.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD56700
Formula: C19H18O7
Smiles:
COc1cccc(-c2cc(=O)c3c(O)cc(OC)c(OC)c3o2)c1OC| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 358.35 | Num_heavy_atoms: | 26 |
| TPSA: | 87.36 | NumAromaticRings: | 3 |
