Glycoside
GD022237
Name:
NoneFormula:
C16H23O6N5SSmiles:
Nc1nc(SCCC2COCCO2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(SCCC2COCCO2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 413.46 | Num_heavy_atoms: | 28 |
| TPSA: | 158.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD07080
Formula: C11H14O2N5S
Smiles:
Nc1nc(SCCC2COCCO2)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 280.33 | Num_heavy_atoms: | 19 |
| TPSA: | 96.72 | NumAromaticRings: | 1 |
