Glycoside
GD037985
Name:
(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->6)-beta-d-gal actopyranosyl-(1->4)-beta-d-glucopyranoseFormula:
C23H39O19NSmiles:
CC(=O)N[C@@H]1[C@@H](O)C[C@@](OC[C@H]2O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COAglycone:
COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.91 |
| AlogP: | -8.22 | Num_rotatable_bonds: | 11 |
| MolWt: | 633.55 | Num_heavy_atoms: | 43 |
| TPSA: | 335.08 | NumAromaticRings: | 0 |
Unique Aglycone
AD04680
Formula: C12H21O9N
Smiles:
COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -3.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 323.3 | Num_heavy_atoms: | 22 |
| TPSA: | 165.78 | NumAromaticRings: | 0 |
