2-(3,4-Dihydroxyphenyl)-8-(2-O-beta-L-galactopyranosyl-beta-D-glucopyranosyl)-5,7-dihydroxy-4H-1-benzopyran-4-one

C₂₇H₃₀O₁₆CAS 861691-37-4610.52 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether Phenol

Properties

Molecular formula: C₂₇H₃₀O₁₆
Molar mass: 610.52 g/mol
Exact mass: 610.1534 Da
logP: -2.38Crippen estimate
Polar surface area: 280.4 Å²
H-bond donors / acceptors: 11 / 16
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

861691-37-4

SMILES

C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O

InChIKey

QQBFHNKJGBCSLG-UHFFFAOYSA-N

InChI

InChI=1S/C27H30O16/c28-6-15-20(36)22(38)26(43-27-23(39)21(37)19(35)16(7-29)42-27)25(41-15)18-12(33)4-11(32)17-13(34)5-14(40-24(17)18)8-1-2-9(30)10(31)3-8/h1-5,15-16,19-23,25-33,35-39H,6-7H2

Weigh it out

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

Names and synonyms

1 names

2''-O-Beta-L-galactopyranosylorientin

Work with 2-(3,4-Dihydroxyphenyl)-8-(2-O-beta-L-galactopyranosyl-beta-D-glucopyranosyl)-5,7-dihydroxy-4H-1-benzopyran-4-one

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

Orientin28608-75-584 % similar (1S)-1,5-Anhydro-1-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl)-4-O-beta-D-glucopyranosyl-D-glucitol178468-00-379 % similar Vitexin 2′′-O-rhamnoside64820-99-176 % similar Vitexin3681-93-471 % similar Isoorientin4261-42-164 % similar Cynaroside5373-11-563 % similar Veronicastroside25694-72-861 % similar Galuteolin20344-46-160 % similar

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

Same formula

Rutin153-18-4 Kaempferol 3-O-sophoroside19895-95-5 Kaempferol 3-O-gentiobioside22149-35-5 Rhodiosin86831-54-1

Elsewhere

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