Glycoside
GD027883
Name:
NoneFormula:
C25H24O7N3ClSmiles:
O=C(C=Cc1ccccc1Cl)c1ccc(OCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1Aglycone:
O=C(C=Cc1ccccc1Cl)c1ccc(OCC2=C[N]N=N2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 501.92 | Num_heavy_atoms: | 35 |
| TPSA: | 147.16 | NumAromaticRings: | 3 |
Unique Aglycone
AD18280
Formula: C19H13O2N3Cl
Smiles:
O=C(C=Cc1ccccc1Cl)c1ccc(OCC2=C[N]N=N2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 338.77 | Num_heavy_atoms: | 24 |
| TPSA: | 65.12 | NumAromaticRings: | 2 |
