Glycoside
GD054523
Name:
NoneFormula:
C13H16O5N4SSmiles:
OC[C@H]1O[C@H](O)[C@H](Nc2ccnc(-c3nccs3)n2)[C@@H](O)[C@@H]1OAglycone:
Nc1ccnc(-c2nccs2)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 340.36 | Num_heavy_atoms: | 23 |
| TPSA: | 140.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD27790
Formula: C7H6N4S
Smiles:
Nc1ccnc(-c2nccs2)n1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.22 | Num_heavy_atoms: | 12 |
| TPSA: | 64.69 | NumAromaticRings: | 2 |
