Glycoside
GD142721
Name:
1-hydroxy-3,6-dimethoxy-2-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)oxy]-9H-xanthen-9-oneFormula:
C21H22O11Smiles:
COc1ccc2c(=O)c3c(O)c(OC4OC(OC)C(O)C(O)C4O)c(OC)cc3oc2c1Aglycone:
COc1ccc2c(=O)c3c(O)c(O)c(OC)cc3oc2c1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 157.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD57430
Formula: C15H12O6
Smiles:
COc1ccc2c(=O)c3c(O)c(O)c(OC)cc3oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
