Glycoside
GD030782
Name:
2-(5,6-dichloro-1H-1,3-benzodiazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C14H12O4N2Cl2Smiles:
OCC1O[C@H](n2cnc3cc(Cl)c(Cl)cc32)[C@H](O)[C@H]1OAglycone:
Clc1cc2c(cc1Cl)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 319.14 | Num_heavy_atoms: | 20 |
| TPSA: | 87.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD01906
Formula: C9H3N2Cl2
Smiles:
Clc1cc2c(cc1Cl)N=C[N]2| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 186.02 | Num_heavy_atoms: | 11 |
| TPSA: | 26.46 | NumAromaticRings: | 1 |
