2-{[4,5-dihydroxy-6-({13-hydroxy-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0?,¹?.0¹?,²³.0¹?,²²]tetracos-4-en-7-yl}oxy)-2-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
AlkaPlorer ID: AK256097
Synonym: None
IUPAC Name: (2R,3S,4S,5R,6R)-2-[(2S,3R,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2R,7S,10S,11S,13S,14S,15R,16S,17R,20S,23S)-13-hydroxy-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Structure
SMILES: C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@H]7O[C@@H](CO)[C@H](O[C@H]8O[C@H](C)[C@H](O)[C@H](O)[C@@H]8O)[C@H](O)[C@@H]7O)CC[C@@]6(C)[C@H]5C[C@H](O)[C@]34C)N2C1
InChI: InChI=1S/C39H63NO11/c1-17-6-9-25-18(2)29-26(40(25)15-17)13-24-22-8-7-20-12-21(10-11-38(20,4)23(22)14-28(42)39(24,29)5)49-37-34(47)32(45)35(27(16-41)50-37)51-36-33(46)31(44)30(43)19(3)48-36/h7,17-19,21-37,41-47H,6,8-16H2,1-5H3/t17-,18+,19+,21-,22+,23-,24-,25+,26-,27-,28-,29-,30-,31-,32+,33-,34-,35-,36+,37-,38+,39+/m0/s1
InChIKey: KTMWIKQBJIZETQ-YRLGWOKUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ceratopetalum apetalum | Ceratopetalum | Cunoniaceae | Oxalidales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Nephroma laevigatum | Nephroma | Nephromataceae | Peltigerales | Lecanoromycetes | Ascomycota | Fungi | Eukaryota |
| Eremosparton flaccidum | Eremosparton | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 721.9289999999999
TPSA？: 181.77
MolLogP？: 1.301800000000003
Number of H-Donors: 7
Number of H-Acceptors: 12
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|