Glycoside
GD132619
Name:
Notoginsenoside IFormula:
C54H92O22Smiles:
CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1CCC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12CAglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 14 | FractionCSP3: | 0.96 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 16 |
| MolWt: | 1093.31 | Num_heavy_atoms: | 76 |
| TPSA: | 357.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD53695
Formula: C30H52O2
Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 7.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.74 | Num_heavy_atoms: | 32 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
