Glycoside
GD146841
Name:
Notoginsenoside MFormula:
C48H82O19Smiles:
CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CC12CAglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.96 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 13 |
| MolWt: | 963.17 | Num_heavy_atoms: | 67 |
| TPSA: | 318.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD00144
Formula: C30H52O4
Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
