chempirical

Sagittatoside B

C32H38O14CAS 118525-36-3646.64 g/mol

Open in Covalent MOL file
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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

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

Epimedin B110623-73-981 % similar Icariside ii113558-15-980 % similar Sagittatoside A118525-35-279 % similar Epmedin C110642-44-971 % similar Epimedin A110623-72-867 % similar Icariin489-32-766 % similar Diphylloside B118544-18-662 % similar Icaritin118525-40-956 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook