Glycoside
GD004057
Name:
NoneFormula:
C22H27O11ClSmiles:
O=C(C=COC[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O)CCC(=O)OCC(O)COc1ccc(Cl)cc1Aglycone:
COC=CC(=O)CCC(=O)OCC(O)COc1ccc(Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 12 |
| MolWt: | 490.89 | Num_heavy_atoms: | 33 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD03597
Formula: C17H19O6Cl
Smiles:
COC=CC(=O)CCC(=O)OCC(O)COc1ccc(Cl)cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 10 |
| MolWt: | 342.77 | Num_heavy_atoms: | 23 |
| TPSA: | 82.06 | NumAromaticRings: | 1 |
