Glycoside
GD133644
Name:
6-{[2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-7-methoxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C24H24O14Smiles:
COc1ccc(-c2oc3cc(OC)c(O)c(O)c3c(=O)c2OC2OC(C(=O)O)C(O)C(O)C2O)cc1OCAglycone:
COc1ccc(-c2oc3cc(OC)c(O)c(O)c3c(=O)c2O)cc1OCSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 536.44 | Num_heavy_atoms: | 38 |
| TPSA: | 214.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD54080
Formula: C18H16O8
Smiles:
COc1ccc(-c2oc3cc(OC)c(O)c(O)c3c(=O)c2O)cc1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.32 | Num_heavy_atoms: | 26 |
| TPSA: | 118.59 | NumAromaticRings: | 3 |
