Glycoside
GD152376
Name:
Saponarioside KFormula:
C48H76O21Smiles:
C=C(C(=O)O)C1CCC2(C)C(CC=C3C4CC(C)(C)CCC4(C(=O)OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)CC32C)C1(C)CCCOAglycone:
C=C(C(=O)O)C1CCC2(C)C(CC=C3C4CC(C)(C)CCC4(C(=O)O)C(O)CC32C)C1(C)CCCOSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.88 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 14 |
| MolWt: | 989.12 | Num_heavy_atoms: | 69 |
| TPSA: | 352.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD49350
Formula: C30H46O6
Smiles:
C=C(C(=O)O)C1CCC2(C)C(CC=C3C4CC(C)(C)CCC4(C(=O)O)C(O)CC32C)C1(C)CCCO| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 5.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
