7-{5a,5b,8,8,11a,13b-hexamethyl-icosahydro-1H-cyclopenta[a]chrysen-3-yl}-2,3-bis(acetyloxy)-1-{[3,4-bis(acetyloxy)-2-[(acetyloxy)methyl]-5-acetamido-2-hydroxycyclopentyl]oxy}octan-4-yl acetate
AlkaPlorer ID: AK557935
Synonym: None
IUPAC Name: [2-[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)-2,3,4-triacetyloxyoctoxy]-3-acetamido-4,5-diacetyloxy-1-hydroxycyclopentyl]methyl acetate
Structure
SMILES: CC(=O)OCC1(O)C(OCC(OC(C)=O)C(OC(C)=O)C(CCC(C)C2CCC3(C)C2CCC2(C)C3CCC3C4(C)CCCC(C)(C)C4CCC32C)OC(C)=O)C(N=C(C)O)C(OC(C)=O)C1OC(C)=O
InChI: InChI=1S/C55H87NO15/c1-30(38-20-25-51(11)39(38)21-26-53(13)43(51)18-19-44-52(12)24-15-23-50(9,10)42(52)22-27-54(44,53)14)16-17-40(67-33(4)59)46(69-35(6)61)41(68-34(5)60)28-65-48-45(56-31(2)57)47(70-36(7)62)49(71-37(8)63)55(48,64)29-66-32(3)58/h30,38-49,64H,15-29H2,1-14H3,(H,56,57)
InChIKey: WGVVKZMRPIAFHM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zymomonas mobilis | Zymomonas | Zymomonadaceae | Sphingomonadales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1002.2929999999996
TPSA？: 219.85
MolLogP？: 8.590700000000005
Number of H-Donors: 2
Number of H-Acceptors: 15
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|