Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

10055 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C47H74N2O27
InChI
InChI=1S/C47H74N2O27/c1-20-31(56)34(59)35(60)44(70-20)72-38-30(49-41(62)22-13-14-25(66-3)26(16-22)67-4)43(69-15-11-9-7-6-8-10-12-28(55)68-5)74-42(63)40(38)73-45-36(61)39(33(58)27(19-51)71-45)76-47(46(64)65)17-23(53)29(48-21(2)52)37(75-47)32(57)24(54)18-50/h13-14,16,20,23-24,27,29-40,42-45,50-51,53-54,56-61,63H,6-12,15,17-19H2,1-5H3,(H,48,52)(H,49,62)(H,64,65)/t20?,23?,24-,27?,29?,30?,31?,32+,33?,34?,35?,36?,37?,38?,39?,40?,42?,43?,44?,45?,47?/m1/s1
Smiles
COC(=O)CCCCCCCCOC1OC(O)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C([C@@H](O)[C@H](O)CO)O3)C2O)C(OC2OC(C)C(O)C(O)C2O)C1NC(=O)c1ccc(OC)c(OC)c1
Cross References
UniChem336991
canSAR10055
ChEMBLCHEMBL412729
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 1098.447895108-5.03121429150No