Glycoside
GD070211
Name:
NoneFormula:
C16H21O5N3SSmiles:
Cn1ccc(Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)n1Aglycone:
Cn1ccc(Nc2ccc(S)cc2)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 367.43 | Num_heavy_atoms: | 25 |
| TPSA: | 120.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD33251
Formula: C10H11N3S
Smiles:
Cn1ccc(Nc2ccc(S)cc2)n1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 205.29 | Num_heavy_atoms: | 14 |
| TPSA: | 29.85 | NumAromaticRings: | 2 |
