Glycoside
GD129441
Name:
N-[2-(2-{2,2-dimethyl-6-propoxy-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl}-2-hydroxyethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acidFormula:
C20H35O11NSmiles:
CCCOC1C(C(O)COC2OC(CO)C(O)C(O)C2N=C(C)O)OC2OC(C)(C)OC21Aglycone:
CCCOC1C(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: | -1.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 465.5 | Num_heavy_atoms: | 32 |
| TPSA: | 168.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD40412
Formula: C12H22O6
Smiles:
CCCOC1C(C(O)CO)OC2OC(C)(C)OC21| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 262.3 | Num_heavy_atoms: | 18 |
| TPSA: | 77.38 | NumAromaticRings: | 0 |
