Glycoside
GD096405
Name:
NoneFormula:
C19H27O5N7ClSSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NC(=S)NCCC[NH+]4CCOCC4)nc(Cl)nc32)[C@H](O)[C@@H]1OAglycone:
S=C(NCCC[NH+]1CCOCC1)Nc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 488.98 | Num_heavy_atoms: | 32 |
| TPSA: | 151.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD41001
Formula: C14H18ON7ClS
Smiles:
S=C(NCCC[NH+]1CCOCC1)Nc1nc(Cl)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 355.86 | Num_heavy_atoms: | 23 |
| TPSA: | 89.97 | NumAromaticRings: | 1 |
