Glycoside
GD027422
Name:
NoneFormula:
C16H20O5N5ClSmiles:
OC[C@@H]1O[C@H](n2cnc3c(NC4CCC[C@H]4O)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
OC1CCCC1Nc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 385.81 | Num_heavy_atoms: | 26 |
| TPSA: | 145.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD18024
Formula: C11H11ON5Cl
Smiles:
OC1CCCC1Nc1nc(Cl)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 252.69 | Num_heavy_atoms: | 17 |
| TPSA: | 84.5 | NumAromaticRings: | 1 |
