Glycoside
GD056445
Name:
NoneFormula:
C12H16O5N4SSmiles:
Cc1nc2ncc(N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)nc2s1Aglycone:
Cc1nc2ncc(N)nc2s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 328.35 | Num_heavy_atoms: | 22 |
| TPSA: | 140.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD28370
Formula: C6H6N4S
Smiles:
Cc1nc2ncc(N)nc2s1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 0 |
| MolWt: | 166.21 | Num_heavy_atoms: | 11 |
| TPSA: | 64.69 | NumAromaticRings: | 2 |
