Leptinine I
AlkaPlorer ID: AK077362
Synonym: ''
IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-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]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-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]8O[C@@H](C)[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]5CC[C@]34C)N2C1
InChI: InChI=1S/C45H73NO15/c1-18-13-28(48)31-19(2)30-27(46(31)16-18)15-26-24-8-7-22-14-23(9-11-44(22,5)25(24)10-12-45(26,30)6)58-43-40(61-42-37(54)35(52)33(50)21(4)57-42)38(55)39(29(17-47)59-43)60-41-36(53)34(51)32(49)20(3)56-41/h7,18-21,23-43,47-55H,8-17H2,1-6H3/t18-,19-,20-,21-,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: XDGNTUGBJHWIRF-VJHFHZKPSA-N
Reference
Glycoalkaloids of wild, tuber-bearing Solanum species
PubChem CID: 101699423
LOTUS: LTS0198268
SuperNatural Ⅲ: SN0427012-01
NPASS: NPC177146
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: 868.071
TPSA？: 240.69
MolLogP？: 0.1536000000000081
Number of H-Donors: 9
Number of H-Acceptors: 16
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|