Glycoside
GD131285
Name:
2-({6-[(5-amino-1,2,4-trihydroxy-6-oxohexan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acidFormula:
C23H40O18N2Smiles:
CC(O)=NC1C(O)CC(OCC2OC(OC(C(O)CO)C(O)C(N)C=O)C(O)C(O)C2O)(C(=O)O)OC1C(O)C(O)COAglycone:
COC1(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O1Sugarmoiety:
NC(C=O)C(O)C(OC1OC(O)C(O)C(O)C1O)C(O)COOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 14 | FractionCSP3: | 0.87 |
| AlogP: | -7.57 | Num_rotatable_bonds: | 15 |
| MolWt: | 632.57 | Num_heavy_atoms: | 43 |
| TPSA: | 352.2 | 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 |
