Iristectorigenin A 7-glucoside

C₂₃H₂₄O₁₂CAS 94396-09-5492.43 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether Phenol

Properties

Molecular formula: C₂₃H₂₄O₁₂
Molar mass: 492.43 g/mol
Exact mass: 492.1268 Da
logP: 0.07Crippen estimate
Polar surface area: 188.5 Å²
H-bond donors / acceptors: 6 / 12
Rotatable bonds: 6

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

94396-09-5

SMILES

COC1=C(C=CC(=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)OC4C(C(C(C(O4)CO)O)O)O)O

InChIKey

XVNKSNSGLVWSFS-UHFFFAOYSA-N

InChI

InChI=1S/C23H24O12/c1-31-12-5-9(3-4-11(12)25)10-8-33-13-6-14(22(32-2)19(28)16(13)17(10)26)34-23-21(30)20(29)18(27)15(7-24)35-23/h3-6,8,15,18,20-21,23-25,27-30H,7H2,1-2H3

Weigh it out

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

Work with Iristectorigenin A 7-glucoside

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

Iridin491-74-785 % similar Tectoridin611-40-583 % similar Tectorigenin 7-O-xylosylglucoside231288-19-068 % similar Nepitrin569-90-463 % similar Glycitin40246-10-462 % similar Calycosin 7-o-beta-D-glucoside20633-67-461 % similar Isorhamnetin 3-O-glucoside5041-82-759 % similar Cacticin6743-92-659 % similar

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

Same formula

3-(Beta-D-Glucopyranosyloxy)-1,7-dihydroxy-2,8-dimethoxy-6-methyl-9,10-anthracenedione129025-96-3 Iristectorin A37744-61-9

Elsewhere

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