16,28-Secosolanida-5,22(28)-diene-3,16-diol; (3β,16α,20S,25S)-form, 3-O-β-D-Glucopyranoside
AlkaPlorer ID: AK313231
Synonym: Deacetylveralosine, Etioline 3-glucoside
IUPAC Name: 2-[[16-hydroxy-10,13-dimethyl-17-[1-(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: CC1CCC(C(C)C2C(O)CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC32C)=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
InChIKey: TVYPZWCCOPYBIW-UHFFFAOYSA-N
Reference
Steroidal alkaloids from roots of Solanum spirale
PubChem CID: 163025298
LOTUS: LTS0086890
COCONUT: CNP0302773.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Veratrum | Melanthiaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Solanum spirale | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Veratrum | Melanthiaceae | Liliales | 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 |
|---|