Apigenin 7-O-(2G-rhamnosyl)gentiobioside

C33H40O19CAS 174284-20-9740.66 g/mol

Open in Covalent MOL file
OOOOOOHOOHOOOHOHHOHOOHOHHOOHOH
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C33H40O19
Molar mass
740.66 g/mol
Exact mass
740.2164 Da
logP
-3.27Crippen estimate
Polar surface area
308.1 Ų
H-bond donors / acceptors
11 / 19
Rotatable bonds
9
Stereocentres
S, R, R, R, S, R, S, S, R, S, R, R, S, S, Rin 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
174284-20-9
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O
InChIKey
LXOPDILLGIDKLW-KDGNLIIISA-N
InChI
InChI=1S/C33H40O19/c1-11-22(38)25(41)29(45)32(47-11)52-30-27(43)24(40)20(10-46-31-28(44)26(42)23(39)19(9-34)50-31)51-33(30)48-14-6-15(36)21-16(37)8-17(49-18(21)7-14)12-2-4-13(35)5-3-12/h2-8,11,19-20,22-36,38-45H,9-10H2,1H3/t11-,19+,20+,22-,23+,24+,25+,26-,27-,28+,29+,30+,31+,32-,33+/m0/s1

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

Work with Apigenin 7-O-(2G-rhamnosyl)gentiobioside

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

Ligustroflavone260413-62-593 % similar Rhoifolin17306-46-692 % similar Apigenin 7-O-rutinoside552-57-884 % similar Fortunellin20633-93-681 % similar Veronicastroside25694-72-881 % similar Neodiosmin38665-01-978 % similar Linarin480-36-474 % similar Apigetrin578-74-573 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Grosvenorine156980-60-8 Robinin301-19-9 Clitorin55804-74-5

Elsewhere

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