Glycoside
GD032551
Name:
NoneFormula:
C19H24O4N5ClSmiles:
OC[C@@H]1O[C@H](n2cnc3c(NCCC4=CCCCC4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
Clc1nc2c(c(NCCC3=CCCCC3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 409.87 | Num_heavy_atoms: | 28 |
| TPSA: | 125.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD20870
Formula: C14H15N5Cl
Smiles:
Clc1nc2c(c(NCCC3=CCCCC3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 276.75 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
