PGL Aglycone; N-Me, 31-O-[α-D-glucopyranosyl-(1→2)-β-D-galactofuranoside]
AlkaPlorer ID: AK309890
Synonym: PGL III
IUPAC Name: None
Structure
SMILES: CC1CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)CCOC(COP(=O)([O-])C(C[N+](C)(C)C)C(O)C(O)CO)COCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)CCOC(COC2OC(C(O)CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)COCCC(C)CCC1
InChI: InChI=1S/C106H210NO21P/c1-76-32-20-36-80(5)44-28-52-88(13)60-64-120-72-92(74-124-106-104(102(117)103(127-106)95(112)70-109)128-105-101(116)100(115)99(114)96(71-110)126-105)122-66-62-90(15)54-30-46-82(7)38-22-34-78(3)42-26-50-86(11)58-56-85(10)49-25-41-77(2)33-21-37-81(6)45-29-53-89(14)61-65-121-73-93(75-125-129(118,119)97(68-107(17,18)19)98(113)94(111)69-108)123-67-63-91(16)55-31-47-83(8)39-23-35-79(4)43-27-51-87(12)59-57-84(9)48-24-40-76/h76-106,108-117H,20-75H2,1-19H3
InChIKey: WJGGLMGEUPCODH-UHFFFAOYSA-N
Reference
CAS: 148980-02-3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Methanospirillum hungatei | Methanospirillum | Methanospirillaceae | Methanomicrobiales | Methanomicrobia | Euryarchaeota | None | Archaea |
Properties Information
Molecule Weight: 1865.8060000000005
TPSA？: 325.5
MolLogP？: 20.14520000000001
Number of H-Donors: 10
Number of H-Acceptors: 21
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|