(2R,3R,4S,5S,6R)-2-{[(2R,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(1S,2R,5S,7S,10R,11S,14R,15S,16R,17S,20S,23R)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracosan-7-yl]peroxy}oxan-3-yl]oxy}-5-
AlkaPlorer ID: AK430221
Synonym: None
IUPAC Name: 2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[(10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-7-yl)peroxy]oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Structure
SMILES: CC1CCC2C(C)C3C(CC4C5CCC6CC(OOC7OC(CO)C(OC8OC(CO)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8OC8OC(CO)C(O)C(O)C8O)C(O)C7O)CCC6(C)C5CCC43C)N2C1
InChI: InChI=1S/C51H85NO22/c1-20-5-8-27-21(2)33-28(52(27)15-20)14-26-24-7-6-22-13-23(9-11-50(22,3)25(24)10-12-51(26,33)4)73-74-48-42(65)39(62)43(32(19-56)69-48)70-49-45(72-47-41(64)38(61)35(58)30(17-54)67-47)44(36(59)31(18-55)68-49)71-46-40(63)37(60)34(57)29(16-53)66-46/h20-49,53-65H,5-19H2,1-4H3
InChIKey: KBYRLPVIBYNPNS-UHFFFAOYSA-N
Reference
Commersonine, a new glycoalkaloid from two Solanum species
PubChem CID: 163023036
LOTUS: LTS0093468
COCONUT: CNP0299972.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum commersonii | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1064.2260000000003
TPSA？: 349.30000000000007
MolLogP？: -3.03669999999998
Number of H-Donors: 13
Number of H-Acceptors: 23
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|