Glycoside
GD036986
Name:
NoneFormula:
C22H31O8N3Smiles:
O=C(O)CCCCCCCOc1cccc(-c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)c1Aglycone:
O=C(O)CCCCCCCOc1cccc(C2=C[N]N=N2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 12 |
| MolWt: | 465.5 | Num_heavy_atoms: | 33 |
| TPSA: | 167.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD23324
Formula: C16H20O3N3
Smiles:
O=C(O)CCCCCCCOc1cccc(C2=C[N]N=N2)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 10 |
| MolWt: | 302.35 | Num_heavy_atoms: | 22 |
| TPSA: | 85.35 | NumAromaticRings: | 1 |
