Glycoside
GD007424
Name:
NoneFormula:
C17H23O4N6ClSmiles:
OC[C@@H]1O[C@H](n2cnc3c(NN4CCCCCC4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
Clc1nc2c(c(NN3CCCCCC3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 398.85 | Num_heavy_atoms: | 27 |
| TPSA: | 128.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD06049
Formula: C12H14N6Cl
Smiles:
Clc1nc2c(c(NN3CCCCCC3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 265.73 | Num_heavy_atoms: | 18 |
| TPSA: | 67.51 | NumAromaticRings: | 1 |
