Kaempferol 3-O-sophoroside 7-O-rhamnoside

C33H40O20CAS 93098-79-4756.66 g/mol

Open in Covalent MOL file
OOOHOOOOHOHOHOOOHOHOHHOOHOHOHOHO
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C33H40O20
Molar mass
756.66 g/mol
Exact mass
756.2113 Da
logP
-3.92Crippen estimate
Polar surface area
328.4 Ų
H-bond donors / acceptors
12 / 20
Rotatable bonds
9
Stereocentres
S, S, S, R, S, S, R, S, R, S, S, R, R, R, 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
93098-79-4
SMILES
C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
InChIKey
VRYWDBDPXMHHGE-IAYTZLMWSA-N
InChI
InChI=1S/C33H40O20/c1-10-19(38)23(42)26(45)31(47-10)48-13-6-14(37)18-15(7-13)49-28(11-2-4-12(36)5-3-11)29(22(18)41)52-33-30(25(44)21(40)17(9-35)51-33)53-32-27(46)24(43)20(39)16(8-34)50-32/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,30+,31-,32-,33-/m0/s1

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

Names and synonyms

5 names
  • 4H-1-Benzopyran-4-one, 7-[(6-deoxy-α-L-mannopyranosyl)oxy]-3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-
  • 7-[(6-Deoxy-α-L-mannopyranosyl)oxy]-3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Kaempferol 3-O-β-D-sophoroside 7-O-α-L-rhamnoside
  • Kaempferol 3-sophoroside 7-rhamnoside
  • Kaempferol 3-O-β-sophoroside-7-O-α-rhamnoside

Work with Kaempferol 3-O-sophoroside 7-O-rhamnoside

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

Grosvenorine156980-60-8100 % similar Kaempferol-3-O-glucorhamnoside40437-72-788 % similar Kaempferitrin482-38-279 % similar Kaempferol 3-O-sophoroside19895-95-578 % similar Robinin301-19-978 % similar Clitorin55804-74-575 % similar Isorhamnetin 3-O-neohesperidoside55033-90-473 % similar Rhoifolin17306-46-673 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Alcesefoliside124151-38-8

Elsewhere

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