Glycoside
GD037957
Name:
(2r,3r,4s,5s,6r)-2-[4-[1-[3-[6-[(z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]propyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H31O8N5Smiles:
OC[C@H]1O[C@H](OCCCCc2cn(CCCc3ccc(O)c(C=NO)n3)nn2)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
OCCCCc1cn(CCCc2ccc(O)c(C=NO)n2)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 12 |
| MolWt: | 481.51 | Num_heavy_atoms: | 34 |
| TPSA: | 195.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD23796
Formula: C15H21O3N5
Smiles:
OCCCCc1cn(CCCc2ccc(O)c(C=NO)n2)nn1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 319.37 | Num_heavy_atoms: | 23 |
| TPSA: | 116.65 | NumAromaticRings: | 2 |
