Sagittatoside B

C32H38O14CAS 118525-36-3646.64 g/mol

Open in Covalent MOL file
OOOOHOOHOOOHOHOOHHOHO
AcetalAlcoholAlkeneEtherPhenol

Properties

Molecular formula
C32H38O14
Molar mass
646.64 g/mol
Exact mass
646.2262 Da
logP
1.06Crippen estimate
Polar surface area
218.0 Ų
H-bond donors / acceptors
7 / 14
Rotatable bonds
8
Stereocentres
S, R, R, R, S, S, R, S, 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
118525-36-3
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)OC)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O
InChIKey
BVDGQVAUJNUPGW-JGSSSOFVSA-N
InChI
InChI=1S/C32H38O14/c1-13(2)5-10-17-18(33)11-19(34)21-24(38)29(27(44-28(17)21)15-6-8-16(41-4)9-7-15)45-32-30(25(39)22(36)14(3)43-32)46-31-26(40)23(37)20(35)12-42-31/h5-9,11,14,20,22-23,25-26,30-37,39-40H,10,12H2,1-4H3/t14-,20+,22-,23-,25+,26+,30+,31-,32-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • Sagittatosdie B

Work with Sagittatoside B

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

2'-O-Rhamnosylicariside ii135293-13-987 % similar Epimedin B110623-73-981 % similar Icariside II113558-15-980 % similar Sagittatoside A118525-35-279 % similar Epmedin C110642-44-971 % similar Baohuoside ii55395-07-869 % similar Epimedin A110623-72-867 % similar Icariin489-32-766 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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