Glycoside
GD023261
Name:
NoneFormula:
C17H20O3N6SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCc2ccccn2)[C@H](O)[C@H]1OAglycone:
CSCCc1ccccn1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 388.45 | Num_heavy_atoms: | 27 |
| TPSA: | 132.2 | 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 |
AD15665
Formula: C8H11NS
Smiles:
CSCCc1ccccn1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 153.25 | Num_heavy_atoms: | 10 |
| TPSA: | 12.89 | NumAromaticRings: | 1 |
