Glycoside
GD119218
Name:
6-methoxy-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(2-oxopropyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2H-chromen-2-oneFormula:
C24H30O14Smiles:
COc1cc2ccc(=O)oc2cc1OC1OC(COC2OC(CC(C)=O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COc1cc2ccc(=O)oc2cc1OSugarmoiety:
CC(=O)CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 542.49 | Num_heavy_atoms: | 38 |
| TPSA: | 214.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD09078
Formula: C10H8O4
Smiles:
COc1cc2ccc(=O)oc2cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.17 | Num_heavy_atoms: | 14 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
