Not named
AlkaPlorer ID: AK079581
Synonym: None
IUPAC Name: [(1R,2R,3R,4R,5S)-2-[7-[(3R,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]-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)CCCC(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/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)/t30?,38-,39+,40?,41?,42+,43-,44-,45-,46?,47-,48-,49+,51+,52+,53-,54-,55-/m1/s1
InChIKey: WGVVKZMRPIAFHM-AXLGNODMSA-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 |
|---|