Glycoside
GD138354
Name:
2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-[(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxy]oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acidFormula:
C23H39O19NSmiles:
CC(O)=NC1C(O)CC(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)(C(=O)O)OC1C(O)C(O)COAglycone:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)COSugarmoiety:
O=CC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)COOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 0.87 |
| AlogP: | -7.54 | Num_rotatable_bonds: | 15 |
| MolWt: | 633.55 | Num_heavy_atoms: | 43 |
| TPSA: | 346.41 | 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 |
