Glycoside
GD142630
Name:
Saniculasaponin XFormula:
C41H62O13Smiles:
CC=C(C)C(=O)OC1C2OC3C(O)C4(C)C(=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(C)C6CCC54C)C(CC2(C)CO)C13COAglycone:
CC=C(C)C(=O)OC1C2OC3C(O)C4(C)C(=CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C(CC2(C)CO)C13COSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 762.93 | Num_heavy_atoms: | 54 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD57392
Formula: C35H54O7
Smiles:
CC=C(C)C(=O)OC1C2OC3C(O)C4(C)C(=CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C(CC2(C)CO)C13CO| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 4.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 586.81 | Num_heavy_atoms: | 42 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
