Glycoside
GD147286
Name:
5-acetamido-4-hydroxy-2-[(3,4,5-trihydroxy-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-2-yl)methoxy]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acidFormula:
C23H39O19NSmiles:
CC(O)=NC1C(O)CC(OCC2OC(OC3C(CO)OC(O)C(O)C3O)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:
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: | -7.38 | Num_rotatable_bonds: | 11 |
| MolWt: | 633.55 | Num_heavy_atoms: | 43 |
| TPSA: | 338.57 | 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 |
