Glycoside
GD150710
Name:
8-({3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-2-hydroxy-1,6-dimethoxy-9H-xanthen-9-oneFormula:
C25H28O14Smiles:
COc1cc(OC2OCC(OC3OCC(O)C(O)C3O)C(O)C2O)c2c(=O)c3c(OC)c(O)ccc3oc2c1Aglycone:
COc1cc(O)c2c(=O)c3c(OC)c(O)ccc3oc2c1Sugarmoiety:
OC1COC(OC2COC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 552.49 | Num_heavy_atoms: | 39 |
| TPSA: | 206.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD07596
Formula: C15H12O6
Smiles:
COc1cc(O)c2c(=O)c3c(OC)c(O)ccc3oc2c1| 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 |
