Not named
AlkaPlorer ID: AK079567
Synonym: None
IUPAC Name: [(1R,2R,3R,4R,5S)-2-[7-[(3R,3aS,5aR,5bR,7aS,10R,11aS,11bR,13aR,13bS)-5a,5b,8,8,10,11a,13b-heptamethyl-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)OC[C@@]1(O)[C@H](OCC(OC(C)=O)C(OC(C)=O)C(CCC(C)[C@H]2CC[C@]3(C)[C@H]4CC[C@@H]5[C@@]6(C)C[C@H](C)CC(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC[C@@H]23)OC(C)=O)[C@H](N=C(C)O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChI: InChI=1S/C56H89NO15/c1-30-26-51(10,11)43-22-25-55(15)45(53(43,13)27-30)19-18-44-52(12)23-20-39(40(52)21-24-54(44,55)14)31(2)16-17-41(68-34(5)60)47(70-36(7)62)42(69-35(6)61)28-66-49-46(57-32(3)58)48(71-37(8)63)50(72-38(9)64)56(49,65)29-67-33(4)59/h30-31,39-50,65H,16-29H2,1-15H3,(H,57,58)/t30-,31?,39-,40+,41?,42?,43+,44-,45-,46-,47?,48-,49-,50+,52+,53+,54-,55-,56-/m1/s1
InChIKey: KCYUHKLSVFENND-KPGAEPCTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zymomonas mobilis | Zymomonas | Zymomonadaceae | Sphingomonadales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1016.3199999999996
TPSA？: 219.85
MolLogP？: 8.836700000000004
Number of H-Donors: 2
Number of H-Acceptors: 15
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|