Glycoside
GD103189
Name:
NoneFormula:
C20H20O4N8SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NC(=S)Nc4ccc(-n5cccn5)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
S=C(Nc1ccc(-n2cccn2)cc1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.5 | Num_heavy_atoms: | 33 |
| TPSA: | 155.4 | NumAromaticRings: | 4 |
Unique Aglycone
AD43658
Formula: C15H11N8S
Smiles:
S=C(Nc1ccc(-n2cccn2)cc1)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 335.38 | Num_heavy_atoms: | 24 |
| TPSA: | 94.12 | NumAromaticRings: | 3 |
