Glycoside
GD070505
Name:
NoneFormula:
C16H22O5N3SSmiles:
C[n+]1c[nH]cc1Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
C[n+]1c[nH]cc1Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 368.44 | Num_heavy_atoms: | 25 |
| TPSA: | 121.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD33424
Formula: C10H12N3S
Smiles:
C[n+]1c[nH]cc1Nc1ccc(S)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 206.29 | Num_heavy_atoms: | 14 |
| TPSA: | 31.7 | NumAromaticRings: | 2 |
