Glycoside
GD117337
Name:
N-(2-{2-[2,2-dimethyl-6-(3-methylbutoxy)-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)ethanimidic acidFormula:
C22H39O11NSmiles:
CC(O)=NC1C(OCC(O)C2OC3OC(C)(C)OC3C2OCCC(C)C)OC(CO)C(O)C1OAglycone:
CC(C)CCOC1C(C(O)CO)OC2OC(C)(C)OC21Sugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 10 |
| MolWt: | 493.55 | Num_heavy_atoms: | 34 |
| TPSA: | 168.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD40415
Formula: C14H26O6
Smiles:
CC(C)CCOC1C(C(O)CO)OC2OC(C)(C)OC21| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 290.36 | Num_heavy_atoms: | 20 |
| TPSA: | 77.38 | NumAromaticRings: | 0 |
