chempirical

Rhodionin

C21H20O11CAS 85571-15-9448.38 g/mol

Open in Covalent MOL file
OOOHOOHOHOHOHOHOHO
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C21H20O11
Molar mass
448.38 g/mol
Exact mass
448.1006 Da
Melting point
234–237 °C
logP
0.49Crippen estimate
Polar surface area
190.3 Ų
H-bond donors / acceptors
7 / 11
Rotatable bonds
3
Stereocentres
S, S, R, R, Rin SMILES atom order

Identifiers

CAS number
85571-15-9
SMILES
C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2O)[C@H](O)[C@H](O)[C@H]1O
InChIKey
CIAXXTSXVCLEJK-JOEVVYSCSA-N
InChI
InChI=1S/C21H20O11/c1-7-13(24)16(27)18(29)21(30-7)31-11-6-10(23)12-15(26)17(28)19(32-20(12)14(11)25)8-2-4-9(22)5-3-8/h2-7,13,16,18,21-25,27-29H,1H3/t7-,13-,16+,18+,21-/m0/s1

Weigh it out

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

Names and synonyms

3 names
  • 4H-1-Benzopyran-4-one, 7-[(6-deoxy-α-L-mannopyranosyl)oxy]-3,5,8-trihydroxy-2-(4-hydroxyphenyl)-
  • 7-[(6-Deoxy-α-L-mannopyranosyl)oxy]-3,5,8-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Herbacetin 7-O-α-L-rhamnopyranoside

Work with Rhodionin

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

Rhodiosin86831-54-177 % similar Afzelin482-39-361 % similar Kaempferitrin482-38-259 % similar Herbacetin527-95-757 % similar Myricitrin17912-87-754 % similar Diphylloside B118544-18-653 % similar Kaempferol 3-O-rutinoside17650-84-953 % similar Robinin301-19-952 % similar

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

Same formula

Kaempferol 7-O-glucoside16290-07-6 Galuteolin20344-46-1 Quercetin 7-O-rhamnoside22007-72-3 Orientin28608-75-5 Isoorientin4261-42-1 Astragalin480-10-4 Quercitrin522-12-3 Cynaroside5373-11-5

Elsewhere

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