Glycoside
GD061349
Name:
NoneFormula:
C16H20O6N2Smiles:
O[C@H]1[C@@H](O)[C@@H](c2nnc(CCCc3ccccc3)o2)O[C@@H](O)[C@@H]1OAglycone:
c1ccc(CCCc2nnco2)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 336.34 | Num_heavy_atoms: | 24 |
| TPSA: | 129.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD20500
Formula: C11H12ON2
Smiles:
c1ccc(CCCc2nnco2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 188.23 | Num_heavy_atoms: | 14 |
| TPSA: | 38.92 | NumAromaticRings: | 2 |
