Glycoside
GD149301
Name:
Kakisaponin BFormula:
C36H58O10Smiles:
CC(O)C(C)CCC1(C(=O)OC2OC(CO)C(O)C(O)C2O)C=C2C=CC3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C2(C)CC1Aglycone:
CC(O)C(C)CCC1(C(=O)O)C=C2C=CC3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C2(C)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 8 |
| MolWt: | 650.85 | Num_heavy_atoms: | 46 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD59710
Formula: C30H48O5
Smiles:
CC(O)C(C)CCC1(C(=O)O)C=C2C=CC3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C2(C)CC1| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 5.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
