11-cyclohexyl-N-((2S,3S,4R,5S,6R)-2-((2S,3S,4R,5R,6R,7S)-7-((3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl)-2,3,4,5,6-pentahydroxyoctyloxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)undecanamide
AlkaPlorer ID: AK078041
Synonym: None
IUPAC Name: (2S,3S,4R,5R,6R)-7-[(3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-1-[(2S,3S,4R,5S,6R)-3-(8-cyclohexyloctylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-2,3,4,5,6-pentol
Structure
SMILES: CC(C1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NCCCCCCCCC1CCCCC1
InChI: InChI=1S/C55H99NO10/c1-34(36-23-28-52(4)37(36)24-29-54(6)41(52)21-22-42-53(5)27-17-26-51(2,3)40(53)25-30-55(42,54)7)44(59)48(63)49(64)45(60)38(58)33-65-50-43(47(62)46(61)39(32-57)66-50)56-31-16-11-9-8-10-13-18-35-19-14-12-15-20-35/h34-50,56-64H,8-33H2,1-7H3/t34?,36?,37-,38-,39+,40-,41+,42+,43-,44+,45-,46+,47+,48+,49-,50-,52-,53-,54+,55+/m0/s1
InChIKey: YENKJXDSGUTSNU-AGAJEQGRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alicyclobacillus acidoterrestris | Alicyclobacillus | Alicyclobacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 934.3939999999996
TPSA？: 192.33
MolLogP？: 7.6433000000000115
Number of H-Donors: 9
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|