Glycoside
GD118809
Name:
7-[(3,4-dihydroxy-5,6-dimethyloxan-2-yl)oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-5,6-dihydro-4H-chromen-4-oneFormula:
C22H24O9Smiles:
CC1OC(OC2=Cc3oc(-c4ccc(O)cc4)c(O)c(=O)c3C(O)C2)C(O)C(O)C1CAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2c1C(O)CC(O)=C2Sugarmoiety:
CC1OC(O)C(O)C(O)C1COther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 432.43 | Num_heavy_atoms: | 31 |
| TPSA: | 149.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD47536
Formula: C15H12O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2c1C(O)CC(O)=C2| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 2 |
