Glycoside
GD155016
Name:
N-[(3,4-dihydroxy-5-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}oxolan-2-yl)methyl]-2-methoxyacetamideFormula:
C16H20O6N4Smiles:
COCC(O)=NCC1OC(Cc2nc(-c3ccncc3)no2)C(O)C1OAglycone:
CN=C(O)COC.Cc1nc(-c2ccncc2)no1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 364.36 | Num_heavy_atoms: | 26 |
| TPSA: | 143.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD45951
Formula: C8H7ON3
Smiles:
Cc1nc(-c2ccncc2)no1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.16 | Num_heavy_atoms: | 12 |
| TPSA: | 51.81 | NumAromaticRings: | 2 |
AD47644
Formula: C4H9O2N
Smiles:
CN=C(O)COC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 103.12 | Num_heavy_atoms: | 7 |
| TPSA: | 41.82 | NumAromaticRings: | 0 |
