Glycoside
GD022423
Name:
NoneFormula:
C24H25O4N5Cl2Smiles:
C[C@@H]1O[C@H](n2cnc3c(N)nc(OC4CCCC4)nc32)[C@H](O)[C@H]1OCc1ccc(Cl)c(Cl)c1Aglycone:
Nc1nc(OC2CCCC2)nc2c1N=C[N]2.OCc1ccc(Cl)c(Cl)c1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.38 | Num_heavy_atoms: | 33 |
| TPSA: | 117.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD11717
Formula: C10H12ON5
Smiles:
Nc1nc(OC2CCCC2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 218.24 | Num_heavy_atoms: | 16 |
| TPSA: | 87.49 | NumAromaticRings: | 1 |
AD15203
Formula: C9H6OCl2
Smiles:
OCc1ccc(Cl)c(Cl)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 177.03 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
