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Chemical ID: 4910853
Chemical ID:
4910853
Name [?]:
None
SMILES [?]:
CN(C)C(=O)C1C(C2(C(C1O)(c3c(cc(cc3OC)OC)O2)O)c4ccc(cc4)OC)c5ccccc5
InChi [?]:
InChI=1/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,31,21,19,35,34,36,33,37,25,29,26,28,16,14,32,24,27,15,17,13,6,7,12,10,4,9,8,2,11,5,23,30,20,18,22/E:(1,2)(7,8)(9,10)(11,12)(13,14)/rA:37cCNCCOCCCCCOCCCCCCOCOCOOCCCCCCOCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s6s9;s10;s9;s12;d13;s14;d15;d12s16;s17;s18;s15;s20;s8s13;s9;s8;s24;d25;s26;d27;d24s28;s27;s30;s7;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H31NO7 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 8.64859 |
Area: | 694.726 |
Solvation: | -8.71957 |
Coulombic: | -80.874 |
Bond Count [?]
All: | 41 |
Single: | 31 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 505.559 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 2.79 |
LogP (Chemaxon): | 2.39 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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