Glycoside
GD025270
Name:
NoneFormula:
C21H25O4N2ClSSmiles:
CCSc1cnc(Cc2cc([C@@H]3O[C@H](CC)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)nc1Aglycone:
CCSc1cnc(Cc2ccccc2Cl)nc1Sugarmoiety:
CCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 424.95 | Num_heavy_atoms: | 28 |
| TPSA: | 95.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD16777
Formula: C14H13N2ClS
Smiles:
CCSc1cnc(Cc2ccccc2Cl)nc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.23 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 264.78 | Num_heavy_atoms: | 17 |
| TPSA: | 25.78 | NumAromaticRings: | 2 |
