chempirical

Astragaloside

C28H32O17CAS 17429-69-5640.55 g/mol

Open in Covalent MOL file
OOOOHOHOOOOOHOHOHHOOHHOHOHO
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C28H32O17
Molar mass
640.55 g/mol
Exact mass
640.1639 Da
logP
-2.41Crippen estimate
Polar surface area
278.7 Ų
H-bond donors / acceptors
10 / 17
Rotatable bonds
8
Stereocentres
S, R, S, S, R, R, R, S, S, Rin SMILES atom order

Identifiers

CAS number
17429-69-5
SMILES
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O
InChIKey
GPZLFWVUSQREQH-QDYVESOYSA-N
InChI
InChI=1S/C28H32O17/c1-40-13-4-9(2-3-11(13)31)25-26(20(35)17-12(32)5-10(30)6-14(17)42-25)45-28-24(39)22(37)19(34)16(44-28)8-41-27-23(38)21(36)18(33)15(7-29)43-27/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3/t15-,16-,18-,19-,21+,22+,23-,24-,27-,28+/m1/s1

Weigh it out

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

Work with Astragaloside

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

PubChem CAS Common Chemistry NIST WebBook