Glycoside
GD013182
Name:
NoneFormula:
C21H27O5N2ClSSmiles:
CCCCCc1nnc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1Aglycone:
CCCCCc1nnc(Cc2ccccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 442.97 | Num_heavy_atoms: | 29 |
| TPSA: | 115.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD09873
Formula: C15H17N2ClS
Smiles:
CCCCCc1nnc(Cc2ccccc2Cl)s1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.43 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 280.82 | Num_heavy_atoms: | 18 |
| TPSA: | 25.78 | NumAromaticRings: | 2 |
