Glycoside
GD097557
Name:
NoneFormula:
C20H22O6N5ClSmiles:
CN1C(=O)CCc2cc(Nc3c(C(N)=O)ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc(Cl)c21Aglycone:
CN1C(=O)CCc2cc(NC3=C(C(N)=O)N=C[N]3)cc(Cl)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 451.87 | Num_heavy_atoms: | 31 |
| TPSA: | 163.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD41512
Formula: C15H13O2N5Cl
Smiles:
CN1C(=O)CCc2cc(NC3=C(C(N)=O)N=C[N]3)cc(Cl)c21| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.74 | Num_heavy_atoms: | 22 |
| TPSA: | 101.89 | NumAromaticRings: | 1 |
