Glycoside
GD001273
Name:
Chryso-Obtusin GlucosideFormula:
C25H28O12Smiles:
COc1cc2c(c(OC)c1OC)C(=O)c1c(cc(C)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c1OC)C2=OAglycone:
COc1cc2c(c(OC)c1OC)C(=O)c1c(cc(C)c(O)c1OC)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 520.49 | Num_heavy_atoms: | 37 |
| TPSA: | 170.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD01309
Formula: C19H18O7
Smiles:
COc1cc2c(c(OC)c1OC)C(=O)c1c(cc(C)c(O)c1OC)C2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.26 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 358.35 | Num_heavy_atoms: | 26 |
| TPSA: | 91.29 | NumAromaticRings: | 2 |
