chempirical

Darutoside

C26H44O8CAS 59219-65-7484.63 g/mol

Open in Covalent MOL file
OOOHHOHOOHOHOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C26H44O8
Molar mass
484.63 g/mol
Exact mass
484.3036 Da
logP
1.10Crippen estimate
Polar surface area
139.8 Ų
H-bond donors / acceptors
6 / 8
Rotatable bonds
5
Stereocentres
S, R, S, S, R, R, R, S, S, R, 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
59219-65-7
SMILES
C[C@@]1(CC[C@@H]2C(=C1)CC[C@H]3[C@]2(CC[C@H](C3(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C)[C@H](CO)O
InChIKey
QWWPCQGHWWNGET-LCVVDEIYSA-N
InChI
InChI=1S/C26H44O8/c1-24(2)17-6-5-14-11-25(3,18(29)13-28)9-7-15(14)26(17,4)10-8-19(24)34-23-22(32)21(31)20(30)16(12-27)33-23/h11,15-23,27-32H,5-10,12-13H2,1-4H3/t15-,16-,17-,18+,19-,20-,21+,22-,23+,25+,26+/m1/s1

Weigh it out

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Work with Darutoside

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

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

Elsewhere

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