Glycoside
GD036258
Name:
NoneFormula:
C22H30O11Smiles:
C[C@]1(O)C[C@H](OC(=O)c2ccc(O)cc2)[C@@H]2CCO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]21Aglycone:
CC1(O)CC(OC(=O)c2ccc(O)cc2)C2CCOC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 470.47 | Num_heavy_atoms: | 33 |
| TPSA: | 175.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD22887
Formula: C16H20O6
Smiles:
CC1(O)CC(OC(=O)c2ccc(O)cc2)C2CCOC(O)C21| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 308.33 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 1 |
