Leptinine II
AlkaPlorer ID: AK154196
Synonym: ''
IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-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]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-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]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1
InChI: InChI=1S/C45H73NO16/c1-18-12-27(49)31-19(2)30-26(46(31)15-18)14-25-23-7-6-21-13-22(8-10-44(21,4)24(23)9-11-45(25,30)5)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h6,18-20,22-43,47-56H,7-17H2,1-5H3/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-,45-/m0/s1
InChIKey: JLFJEGBBEGUZBB-XCSYOWQYSA-N
Reference
Glycoalkaloids of wild, tuber-bearing Solanum species
PubChem CID: 101699425
LOTUS: LTS0145238
SuperNatural Ⅲ: SN0168429-02
NPASS: NPC214283
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: 884.07
TPSA？: 260.92
MolLogP？: -0.8739999999999903
Number of H-Donors: 10
Number of H-Acceptors: 17
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|