Ancorinoside C
AlkaPlorer ID: AK287928
Synonym: None
IUPAC Name: 6-[22-[2-(carboxymethyl)-3-hydroxy-1-methyl-5-oxo-2H-pyrrol-4-yl]-9-methyl-22-oxodocosoxy]-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
Structure
SMILES: CC(CCCCCCCCCCCC/C(O)=C1/C(=O)C(CC(=O)O)N(C)C1=O)CCCCCCCCOC1OC(C(=O)O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChI: InChI=1S/C42H71NO17/c1-25(19-15-11-7-5-3-4-6-8-13-17-21-27(45)30-31(48)26(23-29(46)47)43(2)39(30)54)20-16-12-9-10-14-18-22-57-41-36(53)34(51)37(38(60-41)40(55)56)59-42-35(52)33(50)32(49)28(24-44)58-42/h25-26,28,32-38,41-42,44-45,49-53H,3-24H2,1-2H3,(H,46,47)(H,55,56)/b30-27+
InChIKey: UIDZHDZHHBGSAV-KDJFERLWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penares sollasi | Penares | Geodiidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 862.020000000001
TPSA？: 290.50999999999993
MolLogP？: 2.463900000000005
Number of H-Donors: 9
Number of H-Acceptors: 15
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|