chempirical

Leucoside

C26H28O15CAS 27661-51-4580.50 g/mol

Open in Covalent MOL file
OOOOOOHOOHHOHOHOHOOHHOHO
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C26H28O15
Molar mass
580.50 g/mol
Exact mass
580.1428 Da
logP
-1.78Crippen estimate
Polar surface area
249.2 Ų
H-bond donors / acceptors
9 / 15
Rotatable bonds
6
Stereocentres
R, S, R, S, R, S, S, R, Sin 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
27661-51-4
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O)O
InChIKey
RXAXTTGJEMODPY-CJNLAGEVSA-N
InChI
InChI=1S/C26H28O15/c27-7-15-18(33)20(35)24(41-25-21(36)17(32)13(31)8-37-25)26(39-15)40-23-19(34)16-12(30)5-11(29)6-14(16)38-22(23)9-1-3-10(28)4-2-9/h1-6,13,15,17-18,20-21,24-33,35-36H,7-8H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1

Weigh it out

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

Work with Leucoside

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

Kaempferol 3-O-sophoroside19895-95-584 % similar Kaempferol 3-O-gentiobioside22149-35-580 % similar Juglanin5041-67-878 % similar Astragalin480-10-477 % similar Kaempferol-3-O-glucorhamnoside40437-72-776 % similar Quercetin 3-O-sophoroside18609-17-174 % similar Clitorin55804-74-573 % similar Quercetin 3-O-gentiobioside7431-83-671 % similar

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

Same formula

Luteolin 7-O-(2-(beta-D-apiofuranosyl)-beta-D-glucopyranoside)506410-53-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook