Sagittatoside A

C33H40O15CAS 118525-35-2676.67 g/mol

Open in Covalent MOL file
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AcetalAlcoholAlkeneEtherPhenol

Properties

Molecular formula
C33H40O15
Molar mass
676.67 g/mol
Exact mass
676.2367 Da
logP
0.42Crippen estimate
Polar surface area
238.2 Ų
H-bond donors / acceptors
8 / 15
Rotatable bonds
9
Stereocentres
S, R, R, R, S, S, R, S, S, Rin 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
118525-35-2
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]([C@H](O5)CO)O)O)O)O)O
InChIKey
COHHGQPQHHUMDG-WVQJJEIESA-N
InChI
InChI=1S/C33H40O15/c1-13(2)5-10-17-18(35)11-19(36)21-24(39)30(28(46-29(17)21)15-6-8-16(43-4)9-7-15)47-33-31(26(41)22(37)14(3)44-33)48-32-27(42)25(40)23(38)20(12-34)45-32/h5-9,11,14,20,22-23,25-27,31-38,40-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25-,26+,27+,31+,32-,33-/m0/s1

Weigh it out

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

Work with Sagittatoside A

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 ii135293-13-990 % similar Epmedin C110642-44-990 % similar Epimedin A110623-72-884 % similar Hexandraside F140147-77-982 % similar Icariside II113558-15-982 % similar Epimedin B110623-73-980 % similar Sagittatoside B118525-36-379 % similar Diphylloside B118544-18-679 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Icariin489-32-7

Elsewhere

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