Glycoside
GD037959
Name:
(2r,3r,4s,5s,6r)-2-[4-[1-[4-[6-[(z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]butyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H33O8N5Smiles:
OC[C@H]1O[C@H](OCCCCc2cn(CCCCc3ccc(O)c(C=NO)n3)nn2)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
OCCCCc1cn(CCCCc2ccc(O)c(C=NO)n2)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 13 |
| MolWt: | 495.53 | Num_heavy_atoms: | 35 |
| TPSA: | 195.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD23798
Formula: C16H23O3N5
Smiles:
OCCCCc1cn(CCCCc2ccc(O)c(C=NO)n2)nn1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 333.39 | Num_heavy_atoms: | 24 |
| TPSA: | 116.65 | NumAromaticRings: | 2 |
