chempirical

Baohuoside ii

C26H28O10CAS 55395-07-8500.50 g/mol

Open in Covalent MOL file
OOOOHOOHHOHOHOHO
AcetalAlcoholAlkeneEtherPhenol

Properties

Molecular formula
C26H28O10
Molar mass
500.50 g/mol
Exact mass
500.1682 Da
logP
2.29Crippen estimate
Polar surface area
170.0 Ų
H-bond donors / acceptors
6 / 10
Rotatable bonds
5
Stereocentres
S, R, R, R, 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
55395-07-8
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)O)O)O)O
InChIKey
RPLMLWBOUPDPQF-GULSFEPBSA-N
InChI
InChI=1S/C26H28O10/c1-11(2)4-9-15-16(28)10-17(29)18-20(31)25(36-26-22(33)21(32)19(30)12(3)34-26)23(35-24(15)18)13-5-7-14(27)8-6-13/h4-8,10,12,19,21-22,26-30,32-33H,9H2,1-3H3/t12-,19-,21+,22+,26-/m0/s1

Weigh it out

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Work with Baohuoside 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 II113558-15-986 % similar 2'-O-Rhamnosylicariside ii135293-13-978 % similar Diphylloside B118544-18-673 % similar Sagittatoside A118525-35-271 % similar Sagittatoside B118525-36-369 % similar Icariin489-32-769 % similar Afzelin482-39-365 % similar Epmedin C110642-44-964 % similar

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

Elsewhere

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