Glycoside
GD156507
Name:
6-{[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C22H20O14Smiles:
COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(C(=O)O)C(O)C(O)C2O)cc1OAglycone:
COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.27 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 508.39 | Num_heavy_atoms: | 36 |
| TPSA: | 236.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD09774
Formula: C16H12O8
Smiles:
COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
