Glycoside
GD138257
Name:
6-[6-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C21H18O13Smiles:
O=C(O)C1OC(Oc2c(-c3cc(=O)c4c(O)cc(O)cc4o3)ccc(O)c2O)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)c(O)c2O)oc2cc(O)cc(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.24 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 478.36 | Num_heavy_atoms: | 34 |
| TPSA: | 227.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD55828
Formula: C15H10O7
Smiles:
O=c1cc(-c2ccc(O)c(O)c2O)oc2cc(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
