chempirical

Catalpol

C15H22O10CAS 2415-24-9362.33 g/mol

Open in Covalent MOL file
HOOOOHOOOHOHOHOH
AcetalAlcoholAlkeneEpoxideEther

Properties

Molecular formula
C15H22O10
Molar mass
362.33 g/mol
Exact mass
362.1213 Da
Melting point
207 °C
logP
-3.59Crippen estimate
Polar surface area
161.6 Ų
H-bond donors / acceptors
6 / 10
Rotatable bonds
4
Stereocentres
R, S, S, R, S, S, S, S, R, S, Sin SMILES atom order

Identifiers

CAS number
2415-24-9
SMILES
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
LHDWRKICQLTVDL-PZYDOOQISA-N
InChI
InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • β-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl
  • β-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl, [1aS-(1aα,1bβ,2β,5aβ,6β,6aα)]-
  • (1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-Hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl β-D-glucopyranoside
  • Catalpinoside
  • De(p-hydroxybenzoyl)catalposide
  • Catapol
  • Aucubin 7,8-epoxide
  • 7,8-Epoxyaucubin

Work with Catalpol

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

Picroside I27409-30-960 % similar Picroside ii39012-20-954 % similar Aucubin479-98-150 % similar Trehalose99-20-748 % similar Melezitose597-12-646 % similar Glucosylglycerol22160-26-545 % similar α-D-Glucopyranosyl α-D-glucopyranoside dihydrate6138-23-445 % similar Sucrose57-50-144 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia