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Chemical ID: 6918323
Chemical ID:
6918323
Name [?]:
None
SMILES [?]:
c1c2c(c(c3c1OCO3)O)C(=O)NC4C2=CC(C(C4O)O)OC5C(C(C(C(O5)CO)O)O)O
InChi [?]:
InChI=1/C20H23NO12/c22-3-9-13(24)16(27)17(28)20(33-9)32-7-2-6-5-1-8-18(31-4-30-8)14(25)10(5)19(29)21-11(6)15(26)12(7)23/h1-2,7,9,11-13,15-17,20,22-28H,3-4H2,(H,21,29)
InChi Info:
AuxInfo=1/1/N:1,16,29,8,2,15,17,6,27,3,14,18,26,4,19,25,24,5,11,23,13,30,21,31,10,20,32,33,12,7,9,22,28/rA:33cCCCCCCOCOOCONCCCCCCOOOCCCCCOCOOOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s5s8;s4;s3;d11;s11;s13;s2s14;d15;s16;s17;s14s18;s19;s18;s17;s22;s23;s24;s25;s26;s23s27;s27;s29;s26;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO12 |
All Atoms: | 56 |
Heavy Atoms: | 33 |
Chiral Atoms: | 9 |
ZAP Information [?]
Total: | 4.72 |
Area: | 631.798 |
Solvation: | -11.0749 |
Coulombic: | -172.958 |
Bond Count [?]
All: | 37 |
Single: | 32 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 469.396 |
H-Bond Donors: | 8 |
H-Bond Acceptors: | 13 |
XLogP: | -2.28 |
LogP (Chemaxon): | -1.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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