Glycoside
GD016054
Name:
NoneFormula:
C13H16O3N6SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=S)NC2CC2)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.S=CNC1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 336.38 | Num_heavy_atoms: | 23 |
| TPSA: | 131.34 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD11602
Formula: C4H7NS
Smiles:
S=CNC1CC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 101.17 | Num_heavy_atoms: | 6 |
| TPSA: | 12.03 | NumAromaticRings: | 0 |
