Glycoside
GD132219
Name:
5-acetamido-2-{[2-({5-acetamido-1,2-dihydroxy-6-oxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexan-3-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acidFormula:
C31H52O23N2Smiles:
CC(O)=NC(C=O)C(OC1OC(C)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(OC2(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O2)C1O)C(O)COAglycone:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)COSugarmoiety:
CC(O)=NC(C=O)C(OC1OC(C)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)C(O)COOther Identifiers
Properties
| HBA: | 25 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 0.87 |
| AlogP: | -7.7 | Num_rotatable_bonds: | 18 |
| MolWt: | 820.75 | Num_heavy_atoms: | 56 |
| TPSA: | 417.69 | NumAromaticRings: | 0 |
Unique Aglycone
AD44972
Formula: C11H19O9N
Smiles:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -3.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 309.27 | Num_heavy_atoms: | 21 |
| TPSA: | 180.27 | NumAromaticRings: | 0 |
