chempirical

Erigeroside

C11H14O8CAS 59219-76-0274.23 g/mol

Open in Covalent MOL file
OOOOHOHOOHOH
AcetalAlcoholEther

Properties

Molecular formula
C11H14O8
Molar mass
274.23 g/mol
Exact mass
274.0689 Da
logP
-2.18Crippen estimate
Polar surface area
129.6 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
3
Stereocentres
S, R, S, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
59219-76-0
SMILES
C1=COC=C(C1=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChIKey
QCBPBADGYXFZSW-ZHVGPZTNSA-N
InChI
InChI=1S/C11H14O8/c12-3-6-8(14)9(15)10(16)11(18-6)19-7-4-17-2-1-5(7)13/h1-2,4,6,8-12,14-16H,3H2/t6-,8-,9+,10-,11+/m1/s1

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Work with Erigeroside

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Salicin138-52-352 % similar Helicin618-65-552 % similar 2-Nitrophenyl β-D-glucopyranoside2816-24-252 % similar ortho-Nitrophenyl-β-galactoside369-07-352 % similar Phenyl β-D-glucopyranoside1464-44-451 % similar Phenyl β-D-galactopyranoside2818-58-851 % similar Phenyl α-D-glucopyranoside4630-62-051 % similar Arbutin497-76-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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