Mrv0541 05061306572D          

 24 27  0  0  0  0            999 V2000
    1.6569    0.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8248    0.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8303    0.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2613    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0117    0.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1753    2.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2662    1.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7051    2.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2059    0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9811    3.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9257    2.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8993    2.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5373    2.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4820    1.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3431    2.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6497    1.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2877    1.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0744    0.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9546    3.0956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9564   -0.0498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2306    3.9601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5926    3.5279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1744    1.8697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8439    1.1688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  8  2  0  0  0  0
 13 10  1  0  0  0  0
 14 11  2  0  0  0  0
 15 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  9  2  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 17 14  1  0  0  0  0
 18  2  1  0  0  0  0
 18  3  1  0  0  0  0
 18  7  1  0  0  0  0
 18 14  1  0  0  0  0
 19  8  1  0  0  0  0
 20  9  1  0  0  0  0
 21 10  1  0  0  0  0
 22 15  2  0  0  0  0
 23  7  1  0  0  0  0
 23 11  1  0  0  0  0
 24 16  1  0  0  0  0
 24 17  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM027413

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1OC2=C(C3=C(C(O)=C2)C(=O)C2=C(O)C=CC(O)=C2O3)C1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C18H16O6/c1-7-18(2,3)14-11(23-7)6-10(21)13-15(22)12-8(19)4-5-9(20)16(12)24-17(13)14/h4-7,19-21H,1-3H3

> <INCHI_KEY>
KIUHCQDWGHJIMP-UHFFFAOYSA-N

> <FORMULA>
C18H16O6

> <MOLECULAR_WEIGHT>
328.316

> <EXACT_MASS>
328.094688244

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
33.19150325960041

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,7,10-trihydroxy-1,1,2-trimethyl-1H,2H,6H-furo[2,3-c]xanthen-6-one

> <ALOGPS_LOGP>
3.70

> <JCHEM_LOGP>
4.390710197

> <ALOGPS_LOGS>
-3.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.776286924125326

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.395341572980234

> <JCHEM_PKA_STRONGEST_BASIC>
-4.199112060498629

> <JCHEM_POLAR_SURFACE_AREA>
96.22

> <JCHEM_REFRACTIVITY>
85.8203

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.37e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7,10-trihydroxy-1,1,2-trimethyl-2H-furo[2,3-c]xanthen-6-one

> <JCHEM_VEBER_RULE>
0

> <NAME>
Garbogiol

$$$$