Glycoside
GD120909
Name:
3-hydroxy-5,8-dimethoxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthen-9-oneFormula:
C21H22O11Smiles:
COc1ccc(OC)c2c(=O)c3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3oc12Aglycone:
COc1ccc(OC)c2c(=O)c3c(O)cc(O)cc3oc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 168.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD48619
Formula: C15H12O6
Smiles:
COc1ccc(OC)c2c(=O)c3c(O)cc(O)cc3oc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 288.26 | Num_heavy_atoms: | 21 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
