Chemical ID: 6694458

CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)O)C)CO
Chemical ID:
6694458
Name [?]:
None
SMILES [?]:
CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)O)C)CO
InChi [?]:
InChI=1/C20H30O7/c1-10(2)5-14(22)26-12-7-19(8-21)13(6-11(12)3)27-17-15(23)16(24)18(19,4)20(17)9-25-20/h6,10,12-13,15-17,21,23-24H,5,7-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:13,14,1,25,11,3,6,26,20,12,2,7,4,9,17,16,18,15,5,19,27,10,23,24,21,8,22/E:(1,2)/rA:27cCCCCCCCOCOCCCCCCCCCCOOOOCCO/rB:s1;d2;s3;s4;s5;s2s6;s7;s8;d9;s9;s11;s12;s12;s5;s15;s16;s17;s15s18;s19;s19s20;s4s18;s17;s16;s15;s5;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H30O7
All Atoms:27
Heavy Atoms:27
Chiral Atoms:8
ZAP Information [?]
Total:6.16369
Area:544.135
Solvation:-7.43969
Coulombic:-85.9076
Bond Count [?]
All:30
Single:28
Double:2
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:382.448
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:0.64
LogP (Chemaxon):0.59

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Descriptor Annotations

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