Glycoside
GD131745
Name:
Kolokoside AFormula:
C36H58O10Smiles:
CC(C)C(C)C1(C)C(=O)CC2(C)C3CCC4C(C)(CC(O)C(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3=CCC2(C)C1C(=O)OAglycone:
CC(C)C(C)C1(C)C(=O)CC2(C)C3CCC4C(C)(CC(O)C(O)C4(C)C)C3=CCC2(C)C1C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 650.85 | Num_heavy_atoms: | 46 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD53359
Formula: C30H48O5
Smiles:
CC(C)C(C)C1(C)C(=O)CC2(C)C3CCC4C(C)(CC(O)C(O)C4(C)C)C3=CCC2(C)C1C(=O)O| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 5.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
