Glycoside
GD039878
Name:
n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[4-(trifluoromethyl)imidazol-1-yl]oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamideFormula:
C18H17O8N4F3Smiles:
O=C(NCC=C[C@H]1O[C@H](n2cnc(C(F)(F)F)c2)[C@H](O)[C@@H]1O)c1cc([N+](=O)[O-])cc(O)c1OAglycone:
C=CCNC(=O)c1cc([N+](=O)[O-])cc(O)c1O.FC(F)(F)C1=C[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 474.35 | Num_heavy_atoms: | 33 |
| TPSA: | 180.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD23855
Formula: C10H10O5N2
Smiles:
C=CCNC(=O)c1cc([N+](=O)[O-])cc(O)c1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.2 | Num_heavy_atoms: | 17 |
| TPSA: | 112.7 | NumAromaticRings: | 1 |
AD24569
Formula: C4H2N2F3
Smiles:
FC(F)(F)C1=C[N]C=N1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.07 | Num_heavy_atoms: | 9 |
| TPSA: | 26.46 | NumAromaticRings: | 0 |
