Glycoside
GD006528
Name:
Komaroveside AFormula:
C19H30O8Smiles:
CC(=O)C=CC1=C(C)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC1(C)CAglycone:
CC(=O)C=CC1=C(C)C(O)C(O)CC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.44 | Num_heavy_atoms: | 27 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD05392
Formula: C13H20O3
Smiles:
CC(=O)C=CC1=C(C)C(O)C(O)CC1(C)C| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 224.3 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
