Glycoside
GD039490
Name:
(1e)-prop-1-en-1-yl 3-deoxy-7-o-methyl-alpha-d-manno-oct-2-ulopyranosidonic acidFormula:
C12H20O8Smiles:
CC=CO[C@@]1(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](CO)OC)O1Aglycone:
COCCOSugarmoiety:
CC=COC1(C(=O)O)CC(O)C(O)C(O)O1Other Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 292.28 | Num_heavy_atoms: | 20 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD00384
Formula: C3H8O2
Smiles:
COCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
