Glycoside
GD141174
Name:
Kolokoside BFormula:
C36H58O9Smiles:
CC(C)C1CC(=O)C2C1(C)C(O)CC1(C)C3CCC4C(C)(CC(O)C(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3=CCC21CAglycone:
CC(C)C1CC(=O)C2C1(C)C(O)CC1(C)C3CCC4C(C)(CC(O)C(O)C4(C)C)C3=CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 634.85 | Num_heavy_atoms: | 45 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD56893
Formula: C30H48O4
Smiles:
CC(C)C1CC(=O)C2C1(C)C(O)CC1(C)C3CCC4C(C)(CC(O)C(O)C4(C)C)C3=CCC21C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
