Glycoside
GD084169
Name:
NoneFormula:
C17H21O4N7SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(SCCCNc4ncccn4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2SCCCNc2ncccn2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 419.47 | Num_heavy_atoms: | 29 |
| TPSA: | 151.33 | NumAromaticRings: | 3 |
Unique Aglycone
AD37564
Formula: C12H12N7S
Smiles:
C1=Nc2c(ncnc2SCCCNc2ncccn2)[N]1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 286.34 | Num_heavy_atoms: | 20 |
| TPSA: | 90.05 | NumAromaticRings: | 2 |
