Glycoside
GD033035
Name:
NoneFormula:
C17H22O5N3ClSmiles:
CCCCCOc1ncnc2c1c(Cl)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CCCCCOc1ncnc2c1C(Cl)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 371.82 | Num_heavy_atoms: | 25 |
| TPSA: | 109.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD21114
Formula: C12H13ON3Cl
Smiles:
CCCCCOc1ncnc2c1C(Cl)=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 238.7 | Num_heavy_atoms: | 16 |
| TPSA: | 49.11 | NumAromaticRings: | 1 |
