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Chemical ID: 3968444
Chemical ID:
3968444
Name [?]:
None
SMILES [?]:
CC(=C)C1Cc2c(ccc3c2OC4COc5cc(c(cc5C4C3=O)OC)OC)O1
InChi [?]:
InChI=1/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3
InChi Info:
AuxInfo=1/0/N:3,1,26,28,9,8,20,5,17,14,2,10,21,6,7,4,16,19,18,13,22,23,11,24,25,27,15,29,12/rA:29cCCCCCCCCCCCOCCOCCCCCCCCOOCOCO/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s13s21;s10s22;d23;s19;s25;s18;s27;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22O6 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.0724 |
Area: | 573.779 |
Solvation: | -7.27206 |
Coulombic: | -45.8737 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 394.417 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.52 |
LogP (Chemaxon): | 2.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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