Glycoside
GD116524
Name:
Notoginsenoside HFormula:
C47H80O19Smiles:
CC(C)(O)C=CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)CC12CAglycone:
CC(C)(O)C=CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.96 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 12 |
| MolWt: | 949.14 | Num_heavy_atoms: | 66 |
| TPSA: | 318.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD20928
Formula: C30H52O5
Smiles:
CC(C)(O)C=CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
