Cas no 159194-90-8 (Bruceolline A)
Bruceolline A structure
Product Name:Bruceolline A
CAS No:159194-90-8
MF:C26H28N2O12
MW:560.506728172302
CID:191697
PubChem ID:190939
Update Time:2024-02-28
Bruceolline A Chemical and Physical Properties
Names and Identifiers
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- 6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one,11-[(6-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]-
- 11-O-Glucopyranosyl-1-6-glucopyranosylcanthin-6-one
- 6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 11-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-
- 6-oxo-6H-indolo[3,2,1-de][1,5]naphthyridin-11-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
- Bruceolline A
- DTXSID80936070
- 11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
- 159194-90-8
- 6-Oxo-6H-indolo[3,2,1-de][1,5]naphthyridin-11-yl 6-O-hexopyranosylhexopyranoside
-
- Inchi： 1S/C26H28N2O12/c29-8-14-19(31)21(33)23(35)25(39-14)37-9-15-20(32)22(34)24(36)26(40-15)38-13-3-1-2-12-17(13)10-6-7-27-11-4-5-16(30)28(12)18(10)11/h1-7,14-15,19-26,29,31-36H,8-9H2/t14-,15-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1
- InChI Key： VPNZWBQNGLKMGR-IWDCVFEHSA-N
- SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O)O)OC1=CC=CC2=C1C1C=CN=C3C=CC(N2C=13)=O
Computed Properties
- Exact Mass: 560.164
- Monoisotopic Mass: 560.164
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 40
- Rotatable Bond Count: 6
- Complexity: 957
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.9
- Topological Polar Surface Area: 213
Experimental Properties
- Density: 1.87
- Boiling Point: 840°Cat760mmHg
- Flash Point: 461.8°C
- Refractive Index: 1.788
Bruceolline A Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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