chempirical

Kaempferol-3-O-glucorhamnoside

C27H30O15CAS 40437-72-7594.52 g/mol

Open in Covalent MOL file
OOOOOOOHHOOHOHOHOHHOOHOH
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C27H30O15
Molar mass
594.52 g/mol
Exact mass
594.1585 Da
logP
-1.39Crippen estimate
Polar surface area
249.2 Ų
H-bond donors / acceptors
9 / 15
Rotatable bonds
6
Stereocentres
R, S, S, R, S, R, R, R, S, Sin SMILES atom order

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
40437-72-7
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=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O)O
InChIKey
OHOBPOYHROOXEI-OVNVQJKQSA-N
InChI
InChI=1S/C27H30O15/c1-9-17(32)20(35)22(37)26(38-9)42-25-21(36)18(33)15(8-28)40-27(25)41-24-19(34)16-13(31)6-12(30)7-14(16)39-23(24)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,25-33,35-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22-,25-,26+,27+/m1/s1

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Names and synonyms

1 names
  • Kaempferol-3-glucorhamnoside

Work with Kaempferol-3-O-glucorhamnoside

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

Kaempferol 3-O-sophoroside19895-95-590 % similar Grosvenorine156980-60-888 % similar Kaempferol 3-O-sophoroside 7-O-rhamnoside93098-79-488 % similar Clitorin55804-74-585 % similar Isorhamnetin 3-O-neohesperidoside55033-90-483 % similar Astragalin480-10-479 % similar Quercetin 3-O-sophoroside18609-17-179 % similar Juglanin5041-67-878 % similar

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

Same formula

Baicalein 7-O-diglucoside114482-86-9 Kaempferol-3-O-rutinoside17650-84-9 (1S)-1,5-Anhydro-1-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl)-4-O-beta-D-glucopyranosyl-D-glucitol178468-00-3 Saponarin20310-89-8 Tectorigenin 7-O-xylosylglucoside231288-19-0 Veronicastroside25694-72-8

Elsewhere

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