Glycoside
GD006590
Name:
NoneFormula:
C15H17O4N5S2Smiles:
OC[C@@H]1O[C@H](n2cnc3c(CCSc4nccs4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(CCSc3nccs3)ncnc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 395.47 | Num_heavy_atoms: | 26 |
| TPSA: | 126.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD05442
Formula: C10H8N5S2
Smiles:
C1=Nc2c(CCSc3nccs3)ncnc2[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 262.34 | Num_heavy_atoms: | 17 |
| TPSA: | 65.13 | NumAromaticRings: | 2 |
