Glycoside
GD131010
Name:
2-{5,6-dichloro-2-[(propan-2-yl)amino]-1H-1,3-benzodiazol-1-yl}-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C17H19O4N3Cl2Smiles:
CC(C)N=c1[nH]c2cc(Cl)c(Cl)cc2n1C1OC(CO)C(O)C1OAglycone:
CC(C)N=C1[N]c2cc(Cl)c(Cl)cc2N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 376.24 | Num_heavy_atoms: | 24 |
| TPSA: | 103.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD53089
Formula: C12H10N3Cl2
Smiles:
CC(C)N=C1[N]c2cc(Cl)c(Cl)cc2N1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 243.12 | Num_heavy_atoms: | 15 |
| TPSA: | 38.49 | NumAromaticRings: | 1 |
