| Synonyms |
D-Glucose, cyclic 4,6-[(2S,2'S)-2,2'-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-1,6-diyl)bis[3,4,5-trihydroxybenzoate]]; 2,20,1,23-(Epoxy[2]propene[1,2]diyl[3]ylidene)-11H,15H-tribenzo[g,i,q][1,5,12]trioxacyclononadecin, D-glucose deriv.; [1]Benzopyrano[5,4,3-cde][1]benzopyran, D-glucose deriv. |
| IUPAC Name |
2,3-dihydroxy-3-(14,15,16,22,23,27,28,34,35,36,7-undecahydroxy-25,210,4,10-tetraoxo-25,210-dihydro-5,9-dioxa-2(1,6)-chromeno[5,4,3-cde]chromena-1,3(1,2)-dibenzenacyclodecaphane-6-yl)propanal |
| Molecular Weight |
782.53 |
| Molecular Formula |
C34H22O22 |
| Canonical SMILES |
O=CC(O)C(O)C1OC(=O)C2=CC(O)=C(O)C(O)=C2C3=C(O)C(O)=C4OC(=O)C=5C(=C(O)C(O)=C6OC(=O)C3=C4C65)C7=C(O)C(O)=C(O)C=C7C(=O)OCC1O |
| InChI |
InChI=1S/C34H22O22/c35-3-9(38)21(42)28-10(39)4-53-31(49)5-1-7(36)19(40)22(43)11(5)13-17-15-16-18(34(52)56-29(15)26(47)24(13)45)14(25(46)27(48)30(16)55-33(17)51)12-6(32(50)54-28)2-8(37)20(41)23(12)44/h1-3,9-10,21,28,36-48H,4H2 |
| InChIKey |
GXGFDWGVOITBNW-UHFFFAOYSA-N |
| Boiling Point |
1559.6±65.0 °C at 760 mmHg |
| Flash Point |
484.7±27.8 °C |
| Purity |
98% (mixture of anomers) |
| Density |
2.1±0.1 g/cm3 |
| Solubility |
In vitro: 10 mM in DMSO |
| Appearance |
Powder |
| Complexity |
1580 |
| Exact Mass |
782.06027233 |
| Index Of Refraction |
1.872 |
| PSA |
385.24000 |
| Target |
HBV |
| Vapor Pressure |
0.0±0.3 mmHg at 25°C |
| XLogP3-AA |
-0.3 |
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