Glycoside
GD142308
Name:
Saniculasaponin ViFormula:
C62H96O28Smiles:
CC=C(C)C(=O)OC1C(OC2OC(C)C(OC(C)=O)C(O)C2OC(C)=O)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C21COAglycone:
CC=C(C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C21COSugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1O.O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.87 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 15 |
| MolWt: | 1289.42 | Num_heavy_atoms: | 90 |
| TPSA: | 432.8 | NumAromaticRings: | 0 |
Unique Aglycone
AD07437
Formula: C35H56O7
Smiles:
CC=C(C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C21CO| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 4.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 588.83 | Num_heavy_atoms: | 42 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
Sugarmoiety
SD08839
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1O.O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1O