1-[(3-{[4,5-dihydroxy-3-pentadecanamido-6-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-(pentadecanoyloxy)propan-2-yl pentadecanoate
AlkaPlorer ID: AK571622
Synonym: None
IUPAC Name: [3-[3-[4,5-dihydroxy-3-(pentadecanoylamino)-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-pentadecanoyloxypropyl] pentadecanoate
Structure
SMILES: CCCCCCCCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1OC1OC(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1N=C(O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC
InChI: InChI=1S/C72H133NO25/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-54(76)73-57-62(83)60(81)52(47-92-71-67(88)64(85)61(82)53(97-71)48-91-70-66(87)63(84)58(79)50(43-74)94-70)96-69(57)98-68-65(86)59(80)51(44-75)95-72(68)90-46-49(93-56(78)42-39-36-33-30-27-24-21-18-15-12-9-6-3)45-89-55(77)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h49-53,57-72,74-75,79-88H,4-48H2,1-3H3,(H,73,76)
InChIKey: XNGQGXKXJGVOCC-UHFFFAOYSA-N
Reference
Structure of a major glycolipid from Thermus oshimai NTU-063
PubChem CID: 162981995
LOTUS: LTS0272445
COCONUT: CNP0254245.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thermus oshimai | Thermus | Thermaceae | Thermales | Deinococci | Deinococcota | None | Bacteria |
Properties Information
Molecule Weight: 1412.838000000001
TPSA？: 401.7900000000001
MolLogP？: 6.968300000000013
Number of H-Donors: 13
Number of H-Acceptors: 25
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|