(2R,3R,4S,5S,6R)-2-{[(1S,2R,5S,10S,11S,13R,14R,15S)-13-hydroxy-2,15-dimethyl-14-[(1S)-1-[(5S)-5-methyl-3,4,5,6-tetrahydropyridin-2-yl]ethyl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
AlkaPlorer ID: AK054833
Synonym: None
IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13S,14S,16R,17R)-16-hydroxy-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Structure
SMILES: C[C@H]1CCC([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1
InChI: InChI=1S/C33H53NO7/c1-17-5-8-24(34-15-17)18(2)27-25(36)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)40-31-30(39)29(38)28(37)26(16-35)41-31/h6,17-18,20-23,25-31,35-39H,5,7-16H2,1-4H3/t17-,18+,20-,21+,22-,23-,25+,26+,27-,28+,29-,30+,31+,32-,33-/m0/s1
InChIKey: TVYPZWCCOPYBIW-BXWZCCPKSA-N
Reference
Steroidal alkaloids from roots of Solanum spirale
PubChem CID: 102003120
LOTUS: LTS0253271
SuperNatural Ⅲ: SN0361483-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum spirale | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 575.787
TPSA？: 131.97000000000003
MolLogP？: 3.228300000000001
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|