Chemical ID: 3968444

CC(=C)C1Cc2c(ccc3c2OC4COc5cc(c(cc5C4C3=O)OC)OC)O1
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

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Descriptor Annotations

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