Glycoside
GD144373
Name:
5-acetamido-2-[(6-{[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acidFormula:
C25H42O19N2Smiles:
CC(O)=NC1C(O)OC(CO)C(OC2OC(COC3(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O3)C(O)C(O)C2O)C1OAglycone:
COC1(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O1Sugarmoiety:
CC(O)=NC1C(O)OC(CO)C(OC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.88 |
| AlogP: | -6.4 | Num_rotatable_bonds: | 12 |
| MolWt: | 674.61 | Num_heavy_atoms: | 46 |
| TPSA: | 350.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD46866
Formula: C12H21O9N
Smiles:
COC1(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O1| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 323.3 | Num_heavy_atoms: | 22 |
| TPSA: | 169.27 | NumAromaticRings: | 0 |
