Glycoside
GD060238
Name:
NoneFormula:
C14H17O5N3SSmiles:
OC[C@H]1O[C@H](O)[C@H](Nc2cncc(-c3cccs3)n2)[C@@H](O)[C@@H]1OAglycone:
Nc1cncc(-c2cccs2)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 339.37 | Num_heavy_atoms: | 23 |
| TPSA: | 127.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD29769
Formula: C8H7N3S
Smiles:
Nc1cncc(-c2cccs2)n1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 177.23 | Num_heavy_atoms: | 12 |
| TPSA: | 51.8 | NumAromaticRings: | 2 |
