Glycoside
GD036999
Name:
NoneFormula:
C19H25O8N3Smiles:
O=C(O)CCCCOc1cccc(-c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)c1Aglycone:
O=C(O)CCCCOc1cccc(C2=C[N]N=N2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 9 |
| MolWt: | 423.42 | Num_heavy_atoms: | 30 |
| TPSA: | 167.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD23335
Formula: C13H14O3N3
Smiles:
O=C(O)CCCCOc1cccc(C2=C[N]N=N2)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 260.27 | Num_heavy_atoms: | 19 |
| TPSA: | 85.35 | NumAromaticRings: | 1 |
