chempirical

Tribuloside

C30H26O13CAS 22153-44-2594.53 g/mol

Open in Covalent MOL file
OOOOOOOHOHHOHOOHOHOH
AcetalAlcoholAlkeneEsterEtherPhenol

Properties

Molecular formula
C30H26O13
Molar mass
594.53 g/mol
Exact mass
594.1373 Da
logP
1.73Crippen estimate
Polar surface area
216.6 Ų
H-bond donors / acceptors
7 / 13
Rotatable bonds
7
Stereocentres
R, S, S, R, Sin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
22153-44-2
SMILES
C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O
InChIKey
DVGGLGXQSFURLP-VWMSDXGPSA-N
InChI
InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • Tiliroside

Work with Tribuloside

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

Astragalin480-10-469 % similar Kaempferol 3-O-gentiobioside22149-35-568 % similar Juglanin5041-67-868 % similar Kaempferol 3-O-rutinoside17650-84-967 % similar Kaempferol 3-O-glucuronide22688-78-464 % similar Kaempferol 3-O-sophoroside19895-95-563 % similar Afzelin482-39-362 % similar Isoquercetin482-35-961 % similar

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

Same formula

Tiliroside20316-62-5 2-(3,4-Dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl]oxy]-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol4852-22-6

Elsewhere

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