Aucubin
Properties
- Molecular formula
- C15H22O9
- Molar mass
- 346.33 g/mol
- Exact mass
- 346.1264 Da
- Melting point
- 181 °C
- logP
- -2.80Crippen estimate
- Polar surface area
- 149.1 Ų
- H-bond donors / acceptors
- 6 / 9
- Rotatable bonds
- 4
- Stereocentres
- S, R, S, S, R, S, S, R, Sin SMILES atom order
Identifiers
CAS number
479-98-1SMILES
OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12InChIKey
RJWJHRPNHPHBRN-FKVJWERZSA-NInChI
InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- β-D-Glucopyranoside, (1S,4aR,5S,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl
- β-D-Glucopyranoside, 1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl, [1S-(1α,4aα,5α,7aα)]-
- (1S,4aR,5S,7aS)-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl β-D-glucopyranoside
- Aucuboside
- Rhimantin
- Aucubine
- Aucubosid
- Acubin
Work with Aucubin
Similar compounds
Agnuside11027-63-762 % similar
Feretoside27530-67-256 % similar
Catalpol2415-24-950 % similar
Rehmannioside D81720-08-349 % similar
Trehalose99-20-749 % similar
Geniposidic acid27741-01-147 % similar
Glucosylglycerol22160-26-546 % similar
α-D-Glucopyranosyl α-D-glucopyranoside dihydrate6138-23-446 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds