Glycoside
GD034236
Name:
NoneFormula:
C16H19O6N6ClSmiles:
O=[N+]([O-])OC[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
CO[N+](=O)[O-].Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.81 | Num_heavy_atoms: | 28 |
| TPSA: | 157.69 | 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 |
AD09658
Formula: CH3O3N
Smiles:
CO[N+](=O)[O-]| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 77.04 | Num_heavy_atoms: | 5 |
| TPSA: | 52.37 | NumAromaticRings: | 0 |
