Npc129533
3,4,5,11,12,13,21,22,23,26,27,38,39-tridecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaene-8,18,30,35-tetrone
Also Known As: Punicalin|4,6-Gallagylglucose|Punicalin [M+H]+|4,6-Gallagyl-D-glucose|tridecahydroxy[?]tetrone|Npc129533|4,6-(S,S)-Gallagyl-D-glucose|GN-30|4,6-(S,S)-Gallagyl-D-glucose
| Molecular Formula | C34H22O22 |
|---|---|
| Molecular Weight | 782.0603 g/mol |
| LogP | 0.0152 |
| Topological Polar Surface Area | 385.24 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 0 |
| Exact Mass | 782.0603 |
| Monoisotopic Mass | 782.0603 |
| Heavy Atoms | 56 |
| Complexity | 2870.2617 |
Chemical Identifiers
| CAS Number | 65995-64-4 |
|---|---|
| SMILES | C1C2C(C(C(C(O2)O)O)O)OC(=O)C3=CC(=C(C(=C3C4=C(C(=C5C6=C4C(=O)OC7=C(C(=C(C8=C(C(=C(C=C8C(=O)O1)O)O)O)C(=C67)C(=O)O5)O)O)O)O)O)O)O |
Product Overview
Npc129533 (CAS 65995-64-4), with molecular formula C34H22O22 and molecular weight 782.0603 g/mol. IUPAC: 3,4,5,11,12,13,21,22,23,26,27,38,39-tridecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaene-8,18,30,35-tetrone.
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