Pueraria glycoside 2

C26H28O13CAS 114240-18-5548.50 g/mol

Open in Covalent MOL file
OOOOOOHHOOHHOHOHOHOHO
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C26H28O13
Molar mass
548.50 g/mol
Exact mass
548.1530 Da
logP
-1.15Crippen estimate
Polar surface area
219.7 Ų
H-bond donors / acceptors
8 / 13
Rotatable bonds
5
Stereocentres
R, S, R, S, R, S, R, R, Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
114240-18-5
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C3=C(C=CC4=C3OC=C(C4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
InChIKey
YCFQXQCEEPCZMO-KATYHMCLSA-N
InChI
InChI=1S/C26H28O13/c27-11-3-1-10(2-4-11)13-7-36-24-12(18(13)30)5-6-14(28)17(24)25-22(34)21(33)20(32)16(39-25)9-38-26-23(35)19(31)15(29)8-37-26/h1-7,15-16,19-23,25-29,31-35H,8-9H2/t15-,16-,19+,20-,21+,22-,23-,25+,26+/m1/s1

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Work with Pueraria glycoside 2

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

Puerarin3681-99-074 % similar 3′-Hydroxypuerarin117060-54-563 % similar 4'-Methoxypuerarin92117-94-763 % similar 3''-Methoxypuerarin117047-07-160 % similar Tectorigenin 7-O-xylosylglucoside231288-19-052 % similar Daidzin552-66-947 % similar Glycitin40246-10-445 % similar Genistin529-59-944 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Mirificin103654-50-8

Elsewhere

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