Glycoside
GD038747
Name:
4-[4-[5-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{h}-1,2,4-triazol-3-yl]phenyl]benzoic acidFormula:
C21H21O7N3Smiles:
O=C(O)c1ccc(-c2ccc(-c3nnc([C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)[nH]3)cc2)cc1Aglycone:
O=C(O)c1ccc(-c2ccc(-c3nnc[nH]3)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 427.41 | Num_heavy_atoms: | 31 |
| TPSA: | 169.02 | NumAromaticRings: | 3 |
Unique Aglycone
AD24121
Formula: C15H11O2N3
Smiles:
O=C(O)c1ccc(-c2ccc(-c3nnc[nH]3)cc2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 265.27 | Num_heavy_atoms: | 20 |
| TPSA: | 78.87 | NumAromaticRings: | 3 |
