Glycoside
GD038749
Name:
(2~{s},3~{r},4~{r},5~{s},6~{r})-2-[5-(9~{h}-fluoren-2-yl)-4~{h}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H21O5N3Smiles:
OC[C@H]1O[C@H](c2nnc(-c3ccc4c(c3)Cc3ccccc3-4)[nH]2)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
c1ccc2c(c1)Cc1cc(-c3nnc[nH]3)ccc1-2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 395.42 | Num_heavy_atoms: | 29 |
| TPSA: | 131.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD24123
Formula: C15H11N3
Smiles:
c1ccc2c(c1)Cc1cc(-c3nnc[nH]3)ccc1-2| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 233.27 | Num_heavy_atoms: | 18 |
| TPSA: | 41.57 | NumAromaticRings: | 3 |
