Chemical ID: 6917968

Cc1cc2c(c(c1C(=O)NC(C)C(=O)O)O)-c3c(cc4c(c3O)C(=O)c5cc(cc(c5C4=O)O)O)C(C2O)O
Chemical ID:
6917968
Name [?]:
None
SMILES [?]:
Cc1cc2c(c(c1C(=O)NC(C)C(=O)O)O)-c3c(cc4c(c3O)C(=O)c5cc(cc(c5C4=O)O)O)C(C2O)O
InChi [?]:
InChI=1/C27H21NO11/c1-7-3-10-17(24(35)15(7)26(37)28-8(2)27(38)39)18-12(23(34)22(10)33)6-13-19(25(18)36)21(32)11-4-9(29)5-14(30)16(11)20(13)31/h3-6,8,22-23,29-30,33-36H,1-2H3,(H,28,37)(H,38,39)
InChi Info:
AuxInfo=1/1/N:1,12,3,27,29,19,2,11,28,4,26,18,20,30,7,31,5,17,21,32,24,37,36,6,22,8,13,10,35,34,33,25,38,39,16,23,9,14,15/E:(38,39)/rA:39cCCCCCCCCONCCCOOOCCCCCCOCOCCCCCCCOOOCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s11;d13;s13;s6;s5;s17;d18;s19;d20;d17s21;s22;s21;d24;s24;s26;d27;s28;d29;d26s30;s20s31;d32;s30;s28;s18;s4s36;s37;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H21NO11
All Atoms:60
Heavy Atoms:39
Chiral Atoms:3
ZAP Information [?]
Total:6.03534
Area:707.064
Solvation:-11.6413
Coulombic:-156.18
Bond Count [?]
All:43
Single:30
Double:13
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:535.456
H-Bond Donors:8
H-Bond Acceptors:12
XLogP:0.29
LogP (Chemaxon):3.28

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