Glycoside
GD019330
Name:
NoneFormula:
C19H23O5N2ClSSmiles:
CCCc1nnc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1Aglycone:
CCCc1nnc(Cc2ccccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.91 | Num_heavy_atoms: | 27 |
| TPSA: | 115.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD13510
Formula: C13H13N2ClS
Smiles:
CCCc1nnc(Cc2ccccc2Cl)s1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 3.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 252.77 | Num_heavy_atoms: | 16 |
| TPSA: | 25.78 | NumAromaticRings: | 2 |
