Glycoside
GD036795
Name:
NoneFormula:
C20H22O7NClSSmiles:
CCOC(=O)c1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1Aglycone:
CCOC(=O)c1cnc(Cc2ccccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 443.91 | Num_heavy_atoms: | 29 |
| TPSA: | 129.34 | NumAromaticRings: | 2 |
Unique Aglycone
AD23202
Formula: C14H12O2NClS
Smiles:
CCOC(=O)c1cnc(Cc2ccccc2Cl)s1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.23 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 281.76 | Num_heavy_atoms: | 18 |
| TPSA: | 39.19 | NumAromaticRings: | 2 |
