(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(1S,2R,5S,7S,10S,11S,14S,15R,17R,20S,23S)-10,14,20-trimethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracosan-7-yl]oxy}oxan-3-yl]oxy}-4-{[(2S,3R,4R,
AlkaPlorer ID: AK451875
Synonym: None
IUPAC Name: 2-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[(10,14,20-trimethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-7-yl)oxy]oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Structure
SMILES: CC1CCC2CC3C(CC4C5CCC6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OC(CO)C(O)C9O)C8OC8OC(CO)C(O)C(O)C8O)C(O)C7O)CCC6(C)C5CCC43C)N2C1
InChI: InChI=1S/C49H81NO20/c1-20-4-6-22-13-27-28(50(22)15-20)14-26-24-7-5-21-12-23(8-10-48(21,2)25(24)9-11-49(26,27)3)63-44-40(62)37(59)41(32(19-54)67-44)68-47-43(70-46-39(61)36(58)33(55)29(16-51)64-46)42(35(57)31(18-53)66-47)69-45-38(60)34(56)30(17-52)65-45/h20-47,51-62H,4-19H2,1-3H3
InChIKey: LZTYBKHXAMRXFA-UHFFFAOYSA-N
Reference
The glycoalkaloids of Solanum demissum
PubChem CID: 162921189
LOTUS: LTS0156736
COCONUT: CNP0190664.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum demissum | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1004.1740000000002
TPSA？: 319.84
MolLogP？: -2.57519999999998
Number of H-Donors: 12
Number of H-Acceptors: 21
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|