Glycoside
GD010913
Name:
NoneFormula:
C17H24O4N4SSmiles:
OC[C@@H]1O[C@H](n2cnc3c(SCC4CCCCC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2SCC2CCCCC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 380.47 | Num_heavy_atoms: | 26 |
| TPSA: | 113.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD08372
Formula: C12H15N4S
Smiles:
C1=Nc2c(ncnc2SCC2CCCCC2)[N]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.58 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 247.35 | Num_heavy_atoms: | 17 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
