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Chemical ID: 6693849
Chemical ID:
6693849
Name [?]:
None
SMILES [?]:
CC1=CC2C(CC1O)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C
InChi [?]:
InChI=1/C19H26O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,21,22,3,6,23,14,2,25,19,7,4,11,10,12,9,5,13,26,20,8,17,24,15,18,16/rA:27cCCCCCCCOCCCCCCOOOOCOCCCOCOC/rB:s1;d2;s3;s4;s5;s2s6;s7;s5;s9;s10;s11;s9s12;s13;s13s14;s4s12;s11;s10;s18;d19;s19;s9;s5;s23;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26O8 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 8 |
ZAP Information [?]
Total: | 5.76192 |
Area: | 531.031 |
Solvation: | -7.51384 |
Coulombic: | -84.9167 |
Bond Count [?]
All: | 30 |
Single: | 27 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 382.405 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | -0.38 |
LogP (Chemaxon): | -0.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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