Glycoside
GD013191
Name:
NoneFormula:
C21H20O6NClSSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ncc(-c4ccco4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1ncc(-c2ccco2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 437.9 | Num_heavy_atoms: | 29 |
| TPSA: | 116.18 | NumAromaticRings: | 3 |
Unique Aglycone
AD02224
Formula: C15H10ONClS
Smiles:
Clc1ccccc1Cc1ncc(-c2ccco2)s1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 4.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 275.76 | Num_heavy_atoms: | 18 |
| TPSA: | 26.03 | NumAromaticRings: | 3 |
