(2S,3R,4R,5R,6S)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
AlkaPlorer ID: AK437109
Synonym: None
IUPAC Name: 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,6R,8S,9S,12R,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Structure
SMILES: CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C
InChI: InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20?,22?,23-,24-,25+,26+,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37+,38+,39-/m1/s1
InChIKey: KRQDMAXNTWLTDZ-SHVYJSDJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum mammosum | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 721.9289999999999
TPSA？: 179.56
MolLogP？: 1.9629000000000016
Number of H-Donors: 7
Number of H-Acceptors: 12
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|