Glycoside
GD155128
Name:
Notoginsenoside JFormula:
C42H74O16Smiles:
CC(C)(O)C(O)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)C3O)CC12CAglycone:
CC(C)(O)C(O)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(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 11 |
| MolWt: | 835.04 | Num_heavy_atoms: | 58 |
| TPSA: | 279.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD55490
Formula: C30H54O6
Smiles:
CC(C)(O)C(O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 3.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 510.76 | Num_heavy_atoms: | 36 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
