Glycoside
GD070523
Name:
NoneFormula:
C16H19O3N6SSmiles:
CSC[C@H]1O[C@@H](n2cnc3c(Nc4cc[nH+]cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2Nc2cc[nH+]cc2)[N]1Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 375.43 | Num_heavy_atoms: | 26 |
| TPSA: | 119.46 | NumAromaticRings: | 3 |
Unique Aglycone
AD33432
Formula: C10H8N6
Smiles:
C1=Nc2c(ncnc2Nc2cc[nH+]cc2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 212.22 | Num_heavy_atoms: | 16 |
| TPSA: | 78.41 | NumAromaticRings: | 2 |
