Glycoside
GD028169
Name:
NoneFormula:
C19H18O5N3ClSmiles:
COc1ncnc2c1c(-c1ccc(Cl)cc1)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
COc1ncnc2c1C(c1ccc(Cl)cc1)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 391.81 | Num_heavy_atoms: | 27 |
| TPSA: | 109.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD18440
Formula: C14H9ON3Cl
Smiles:
COc1ncnc2c1C(c1ccc(Cl)cc1)=C[N]2| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.69 | Num_heavy_atoms: | 18 |
| TPSA: | 49.11 | NumAromaticRings: | 2 |
