Glycoside
GD092954
Name:
4,5-bis(acetyloxy)-2-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-6-(hydroxymethyl)oxan-3-yl acetateFormula:
C21H26O8N2Smiles:
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](CO)O[C@@H](n2cnc3cc(C)c(C)cc32)[C@@H]1OC(C)=OAglycone:
Cc1cc2c(cc1C)N=C[N]2Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.52 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 434.45 | Num_heavy_atoms: | 31 |
| TPSA: | 126.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD23668
Formula: C9H9N2
Smiles:
Cc1cc2c(cc1C)N=C[N]2| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 0 |
| MolWt: | 145.19 | Num_heavy_atoms: | 11 |
| TPSA: | 26.46 | NumAromaticRings: | 1 |
