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Chemical ID: 6919479

CC(=O)c1ccc(cc1OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O)OC

Chemical ID:

6919479

Name [?]:

1-[4-methoxy-2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxytetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-phenyl]ethanone

SMILES [?]:

CC(=O)c1ccc(cc1OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O)OC

InChi [?]:

InChI=1/C20H28O12/c1-8(21)10-4-3-9(28-2)5-12(10)31-20-18(27)16(25)15(24)13(32-20)7-30-19-17(26)14(23)11(22)6-29-19/h3-5,11,13-20,22-27H,6-7H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,32,6,5,8,23,17,2,7,4,22,9,15,21,14,13,20,12,19,11,3,25,26,28,29,27,30,31,24,18,10,16/rA:32cCCOCCCCCCOCCCCCOCOCCCCCOOOOOOOOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s11s15;s15;s17;s18;s19;s20;s21;s22;s19s23;s22;s21;s20;s14;s13;s12;s7;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₈O₁₂
All Atoms:	60
Heavy Atoms:	32
Chiral Atoms:	9

ZAP Information [?]

Total:	3.20427
Area:	623.276
Solvation:	-12.3776
Coulombic:	-148.921

Bond Count [?]

All:	34
Single:	30
Double:	4
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	460.429
H-Bond Donors:	6
H-Bond Acceptors:	12
XLogP:	-1.66
LogP (Chemaxon):	-1.49

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value