(2R,3R,4S,5S,6R)-2-{[(1S,2S,7S,10R,11S,14S,15R,16S,17S,18S,20S,23S)-18-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}-6-(hydroxymethyl)oxane-3,4,5-triol
AlkaPlorer ID: AK079787
Synonym: None
IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,2S,7S,10R,11S,14S,15R,16S,17S,18S,20S,23S)-18-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]oxane-3,4,5-triol
Structure
SMILES: C[C@H]1C[C@H](O)[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](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1
InChI: InChI=1S/C33H53NO7/c1-16-11-24(36)27-17(2)26-23(34(27)14-16)13-22-20-6-5-18-12-19(7-9-32(18,3)21(20)8-10-33(22,26)4)40-31-30(39)29(38)28(37)25(15-35)41-31/h5,16-17,19-31,35-39H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25+,26-,27-,28+,29-,30+,31+,32-,33-/m0/s1
InChIKey: VDROFUIYSUCGEX-BOPCURMLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Iris tingitana | Iris | Iridaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Iva microcephala | Iva | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 575.787
TPSA？: 122.85
MolLogP？: 2.45
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|