Glycoside
GD004218
Name:
NoneFormula:
C18H20O4N5ClSmiles:
C#C[C@@]1(O)[C@H](CO)O[C@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H]1OAglycone:
Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2Sugarmoiety:
C#CC1(O)C(CO)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 393.83 | Num_heavy_atoms: | 27 |
| TPSA: | 125.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD00055
Formula: C11H11N5Cl
Smiles:
Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.69 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
