Glycoside
GD150383
Name:
Notoginsenoside GFormula:
C48H80O19Smiles:
CC(C)C=CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3=CC(O)C12CAglycone:
CC(C)C=CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3=CC(O)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.92 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 13 |
| MolWt: | 961.15 | Num_heavy_atoms: | 67 |
| TPSA: | 318.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD60076
Formula: C30H50O4
Smiles:
CC(C)C=CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3=CC(O)C12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 5.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
