2-{[4-hydroxy-2-({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)-6-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
AlkaPlorer ID: AK256440
Synonym: None
IUPAC Name: (2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5R,6S)-4-hydroxy-6-(hydroxymethyl)-2-[[(1S,2R,7S,10R,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]-5-[(2S,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-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]8OC[C@@H](O)[C@H](O)[C@@H]8O)[C@H](O)[C@@H]7O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)CC[C@]6(C)[C@H]5C[C@H](O)[C@]34C)N2C1
InChI: InChI=1S/C44H71NO15/c1-18-6-9-26-19(2)31-27(45(26)15-18)13-25-23-8-7-21-12-22(10-11-43(21,4)24(23)14-30(48)44(25,31)5)57-42-39(60-41-36(53)34(51)32(49)20(3)56-41)37(54)38(29(16-46)58-42)59-40-35(52)33(50)28(47)17-55-40/h7,18-20,22-42,46-54H,6,8-17H2,1-5H3/t18-,19+,20+,22-,23+,24-,25-,26+,27-,28+,29-,30-,31-,32+,33-,34-,35-,36-,37-,38-,39-,40-,41+,42-,43-,44+/m0/s1
InChIKey: ZDTJTQGTFKJFDI-CAFJWETISA-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: 854.044
TPSA？: 240.69
MolLogP？: -0.2348999999999934
Number of H-Donors: 9
Number of H-Acceptors: 16
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|