Glycoside
GD002071
Name:
NoneFormula:
C12H16O3N4SSmiles:
CSc1cn([C@@H]2O[C@H](C)[C@H](O)[C@H]2O)c2ncnc(N)c12Aglycone:
CSC1=C[N]c2ncnc(N)c21Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 296.35 | Num_heavy_atoms: | 20 |
| TPSA: | 106.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD02013
Formula: C7H7N4S
Smiles:
CSC1=C[N]c2ncnc(N)c21| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 179.23 | Num_heavy_atoms: | 12 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
