HA-2-91
AlkaPlorer ID: AK049993
Synonym: None
IUPAC Name: (1S,3R,5S,7R,9R,10R,13R,15E,17E,19E,21E,23R,25S,26S,27R)-23-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-13-butyl-1,3,5,7,9,27-hexahydroxy-10-methyl-11-oxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid
Structure
SMILES: CCCC[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@@](O)(C[C@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)[C@@H](C)C(=O)O1)C[C@@H](O)[C@@H]2C(=O)O
InChI: InChI=1S/C39H63NO15/c1-4-5-13-27-14-11-9-7-6-8-10-12-15-28(54-38-35(47)33(40)34(46)23(3)52-38)19-31-32(36(48)49)30(45)21-39(51,55-31)20-26(43)17-24(41)16-25(42)18-29(44)22(2)37(50)53-27/h6-12,15,22-35,38,41-47,51H,4-5,13-14,16-21,40H2,1-3H3,(H,48,49)/b7-6+,10-8+,11-9+,15-12+/t22-,23-,24+,25-,26-,27-,28+,29-,30-,31+,32+,33+,34-,35+,38+,39+/m1/s1
InChIKey: IECBDTINUXJVAO-LQSPMGGRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia x bothae | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Siphocampylus westinianus | Siphocampylus | Campanulaceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Jurinea cyanoides | Jurinea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 785.9250000000003
TPSA？: 279.15
MolLogP？: 0.4654000000000051
Number of H-Donors: 10
Number of H-Acceptors: 15
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|