Glycoside
GD116187
Name:
Dermochrysone 8-O-Beta-D-GentiobiosideFormula:
C30H38O16Smiles:
COc1cc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c2c(O)c3c(cc2c1)CC(O)(CC(C)=O)CC3=OAglycone:
COc1cc(O)c2c(O)c3c(cc2c1)CC(O)(CC(C)=O)CC3=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.6 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 9 |
| MolWt: | 654.62 | Num_heavy_atoms: | 46 |
| TPSA: | 262.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD46095
Formula: C18H18O6
Smiles:
COc1cc(O)c2c(O)c3c(cc2c1)CC(O)(CC(C)=O)CC3=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.34 | Num_heavy_atoms: | 24 |
| TPSA: | 104.06 | NumAromaticRings: | 2 |
