Glycoside
GD000424
Name:
NoneFormula:
C19H25O5N6ClSmiles:
CNC(=O)OC[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@](C)(O)[C@H]1OAglycone:
CNC(=O)OC.Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.89 | Num_heavy_atoms: | 30 |
| TPSA: | 143.65 | 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 |
AD00472
Formula: C3H7O2N
Smiles:
CNC(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 89.09 | Num_heavy_atoms: | 6 |
| TPSA: | 38.33 | NumAromaticRings: | 0 |
