Glycoside
GD034473
Name:
NoneFormula:
C14H18O3N8SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCc2c[nH]nn2)[C@H](O)[C@H]1OAglycone:
CSCCc1c[nH]nn1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 378.42 | Num_heavy_atoms: | 26 |
| TPSA: | 160.88 | NumAromaticRings: | 3 |
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 |
AD21911
Formula: C5H9N3S
Smiles:
CSCCc1c[nH]nn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 143.22 | Num_heavy_atoms: | 9 |
| TPSA: | 41.57 | NumAromaticRings: | 1 |
