Glycoside
GD119147
Name:
6-{[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy}-7-hydroxy-2H-chromen-2-oneFormula:
C16H18O8Smiles:
CC1C(Oc2cc3ccc(=O)oc3cc2O)OC(CO)C(O)C1OAglycone:
O=c1ccc2cc(O)c(O)cc2o1Sugarmoiety:
CC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 338.31 | Num_heavy_atoms: | 24 |
| TPSA: | 129.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD03223
Formula: C9H6O4
Smiles:
O=c1ccc2cc(O)c(O)cc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.14 | Num_heavy_atoms: | 13 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
