Glycoside
GD018412
Name:
NoneFormula:
C13H13O4N2ClSmiles:
OC[C@@H]1OC(n2c(Cl)nc3ccccc32)[C@H](O)[C@H]1OAglycone:
ClC1=Nc2ccccc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.7 | Num_heavy_atoms: | 19 |
| TPSA: | 87.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD12992
Formula: C8H4N2Cl
Smiles:
ClC1=Nc2ccccc2[N]1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.58 | Num_heavy_atoms: | 10 |
| TPSA: | 26.46 | NumAromaticRings: | 1 |
