Glycoside
GD096404
Name:
NoneFormula:
C19H29O5N6SSmiles:
OC[C@H]1O[C@@H](n2ccc3c(NC(=S)NCCC[NH+]4CCOCC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
S=C(NCCC[NH+]1CCOCC1)Nc1ncnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -2.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 453.55 | Num_heavy_atoms: | 31 |
| TPSA: | 138.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD41000
Formula: C14H20ON6S
Smiles:
S=C(NCCC[NH+]1CCOCC1)Nc1ncnc2c1C=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 320.42 | Num_heavy_atoms: | 22 |
| TPSA: | 77.61 | NumAromaticRings: | 1 |
