Glycoside
GD102182
Name:
NoneFormula:
C21H23O6N6ClSmiles:
COc1cccc([C@H](C)NC(=O)Nc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Aglycone:
COc1cccc(C(C)NC(=O)Nc2nc(Cl)nc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.89 | Num_heavy_atoms: | 33 |
| TPSA: | 163.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD43242
Formula: C16H14O2N6Cl
Smiles:
COc1cccc(C(C)NC(=O)Nc2nc(Cl)nc3c2N=C[N]3)c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 345.77 | Num_heavy_atoms: | 24 |
| TPSA: | 102.6 | NumAromaticRings: | 2 |
