chempirical

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

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 Epimedin A110623-72-875 % similar Icariin489-32-774 % similar Hexandraside F140147-77-973 % similar Epimedin B110623-73-972 % similar

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

Elsewhere

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