Glycoside
GD040069
Name:
n-[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]-n'-[(1-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methoxytetrahydro-2h-pyran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methyl]butanediamideFormula:
C20H33O12N5Smiles:
CO[C@H]1O[C@H](Cn2cc(CNC(=O)CCC(=O)N[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)nn2)[C@H](O)[C@H](O)[C@@H]1OAglycone:
Cn1cc(CNC(=O)CCC(N)=O)nn1Sugarmoiety:
COC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.8 |
| AlogP: | -5.96 | Num_rotatable_bonds: | 10 |
| MolWt: | 535.51 | Num_heavy_atoms: | 37 |
| TPSA: | 258.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD24650
Formula: C8H13O2N5
Smiles:
Cn1cc(CNC(=O)CCC(N)=O)nn1| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 211.22 | Num_heavy_atoms: | 15 |
| TPSA: | 102.9 | NumAromaticRings: | 1 |
