3-(Beta-D-Glucopyranosyloxy)-1,7-dihydroxy-2,8-dimethoxy-6-methyl-9,10-anthracenedione
Properties
- Molecular formula
- C23H24O12
- Molar mass
- 492.43 g/mol
- Exact mass
- 492.1268 Da
- logP
- -0.62Crippen estimate
- Polar surface area
- 192.4 Ų
- H-bond donors / acceptors
- 6 / 12
- Rotatable bonds
- 5
- Stereocentres
- 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
129025-96-3SMILES
COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1O)C(=O)c1c(cc(C)c(O)c1OC)C2=OInChIKey
LQYQYAJWKXDTHR-PHVGODQESA-NInChI
InChI=1S/C23H24O12/c1-7-4-8-13(22(33-3)14(7)25)17(28)12-9(15(8)26)5-10(21(32-2)18(12)29)34-23-20(31)19(30)16(27)11(6-24)35-23/h4-5,11,16,19-20,23-25,27,29-31H,6H2,1-3H3/t11-,16-,19+,20-,23-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 3-(β-D-Glucopyranosyloxy)-1,7-dihydroxy-2,8-dimethoxy-6-methyl-9,10-anthracenedione
- 9,10-Anthracenedione, 3-(β-D-glucopyranosyloxy)-1,7-dihydroxy-2,8-dimethoxy-6-methyl-
- Glucoaurantio-obtusin
Work with 3-(Beta-D-Glucopyranosyloxy)-1,7-dihydroxy-2,8-dimethoxy-6-methyl-9,10-anthracenedione
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Emodin 1-O-β-D-glucopyranoside38840-23-253 % similar
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Aloe-emodin 8-O-β-D-glucopyranoside33037-46-648 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds