Glycoside
GD140458
Name:
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C21H20O11Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1OC1OC(O)C(O)C(O)C1OAglycone:
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.38 | Num_heavy_atoms: | 32 |
| TPSA: | 179.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD55422
Formula: C16H12O6
Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
