2'-O-Rhamnosylicariside ii

C33H40O14CAS 135293-13-9660.67 g/mol

Open in Covalent MOL file
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AcetalAlcoholAlkeneEtherPhenol

Properties

Molecular formula
C33H40O14
Molar mass
660.67 g/mol
Exact mass
660.2418 Da
logP
1.45Crippen estimate
Polar surface area
218.0 Ų
H-bond donors / acceptors
7 / 14
Rotatable bonds
8
Stereocentres
S, R, R, 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.

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Identifiers

CAS number
135293-13-9
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=C(OC4=C(C(=CC(=C4C3=O)O)O)CC=C(C)C)C5=CC=C(C=C5)OC)C)O)O)O)O)O
InChIKey
TVBJKPLTBPGHDJ-ZJTKNEERSA-N
InChI
InChI=1S/C33H40O14/c1-13(2)6-11-18-19(34)12-20(35)21-24(38)30(28(45-29(18)21)16-7-9-17(42-5)10-8-16)46-33-31(26(40)23(37)15(4)44-33)47-32-27(41)25(39)22(36)14(3)43-32/h6-10,12,14-15,22-23,25-27,31-37,39-41H,11H2,1-5H3/t14-,15-,22-,23-,25+,26+,27+,31+,32-,33-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • 2''-O-Rhamnosylicariside II

Work with 2'-O-Rhamnosylicariside ii

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

Icariside II113558-15-991 % similar Sagittatoside A118525-35-290 % similar Sagittatoside B118525-36-387 % similar Epmedin C110642-44-980 % similar Baohuoside ii55395-07-878 % similar Epimedin A110623-72-875 % similar Icariin489-32-774 % similar Hexandraside F140147-77-973 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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