Glycoside
GD073761
Name:
NoneFormula:
C14H16O4N8SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(Sc4nnnn4C4CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2Sc2nnnn2C2CC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 392.4 | Num_heavy_atoms: | 27 |
| TPSA: | 157.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD34149
Formula: C9H7N8S
Smiles:
C1=Nc2c(ncnc2Sc2nnnn2C2CC2)[N]1| HBA: | 8 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 259.28 | Num_heavy_atoms: | 18 |
| TPSA: | 95.84 | NumAromaticRings: | 2 |
