7-{5a,5b,8,8,11a,13b-hexamethyl-icosahydro-1H-cyclopenta[a]chrysen-3-yl}-1-({3-[(8-cyclohexyloctyl)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)octane-2,3,4,5,6-pentol
AlkaPlorer ID: AK579039
Synonym: None
IUPAC Name: 7-(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-[3-(8-cyclohexyloctylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-2,3,4,5,6-pentol
Structure
SMILES: CC(C(O)C(O)C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1NCCCCCCCCC1CCCCC1)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C
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
InChIKey: YENKJXDSGUTSNU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alicyclobacillus acidoterrestris | Alicyclobacillus | Alicyclobacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 934.3939999999992
TPSA？: 192.33
MolLogP？: 7.643300000000007
Number of H-Donors: 9
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|