Glycoside
GD022629
Name:
NoneFormula:
C16H18O7N2Smiles:
OC[C@@H]1O[C@H](c2nc(-c3ccc(C4OCCO4)cc3)no2)[C@H](O)[C@H]1OAglycone:
c1nc(-c2ccc(C3OCCO3)cc2)no1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 350.33 | Num_heavy_atoms: | 25 |
| TPSA: | 127.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD15320
Formula: C11H10O3N2
Smiles:
c1nc(-c2ccc(C3OCCO3)cc2)no1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 218.21 | Num_heavy_atoms: | 16 |
| TPSA: | 57.38 | NumAromaticRings: | 2 |
