Glycoside
GD152580
Name:
6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C21H20O12Smiles:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 464.38 | Num_heavy_atoms: | 33 |
| TPSA: | 203.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD04886
Formula: C15H12O6
Smiles:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
