Glycoside
GD080794
Name:
NoneFormula:
C19H23O8N3Smiles:
COc1ccc(Cn2ccnc(C(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)c2=O)cc1Aglycone:
COc1ccc(Cn2ccnc(C(N)=O)c2=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 421.41 | Num_heavy_atoms: | 30 |
| TPSA: | 163.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD36471
Formula: C13H13O3N3
Smiles:
COc1ccc(Cn2ccnc(C(N)=O)c2=O)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 259.26 | Num_heavy_atoms: | 19 |
| TPSA: | 87.21 | NumAromaticRings: | 2 |
