Glycoside
GD150186
Name:
Swertiajaponin 3'-O-GentiobiosideFormula:
C34H42O21Smiles:
COc1cc2oc(-c3ccc(O)c(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)c3)cc(=O)c2c(O)c1C1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.56 |
| AlogP: | -4.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 786.69 | Num_heavy_atoms: | 55 |
| TPSA: | 348.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD23614
Formula: C16H12O6
Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
