Glycoside
GD013247
Name:
NoneFormula:
C21H25O5N2ClSSmiles:
CSc1nnc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)c(C)c1CAglycone:
CSc1nnc(Cc2ccccc2Cl)c(C)c1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.95 | Num_heavy_atoms: | 29 |
| TPSA: | 115.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD09909
Formula: C15H15N2ClS
Smiles:
CSc1nnc(Cc2ccccc2Cl)c(C)c1C| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 4.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 278.81 | Num_heavy_atoms: | 18 |
| TPSA: | 25.78 | NumAromaticRings: | 2 |
