Glycoside
GD155043
Name:
3-[(6-carboxy-3-acetamido-4,5-dihydroxyoxan-2-yl)oxy]-6-(2,3-dihydroxypropoxy)-5-acetamido-4-hydroxyoxane-2-carboxylic acidFormula:
C19H30O15N2Smiles:
CC(O)=NC1C(OC2C(C(=O)O)OC(OCC(O)CO)C(N=C(C)O)C2O)OC(C(=O)O)C(O)C1OAglycone:
OCC(O)COSugarmoiety:
CC(O)=NC(C(O)OCC(O)CO)C(O)OOC1OC(C(=O)O)C(O)C(O)C1N=C(C)O.O=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.79 |
| AlogP: | -3.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 526.45 | Num_heavy_atoms: | 36 |
| TPSA: | 277.85 | NumAromaticRings: | 0 |
Unique Aglycone
AD00405
Formula: C3H8O3
Smiles:
OCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 92.09 | Num_heavy_atoms: | 6 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
