(2S,3R,4S,5R,6R)-2-[(2S)-4-[(1R,2S,4R,6R,7S,8R,9S,12S,13S,16S,18S)-16-amino-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
AlkaPlorer ID: AK053429
Synonym: None
IUPAC Name: (2S,3R,4S,5R,6R)-2-[(2S)-4-[(1R,2S,4R,6R,7S,8R,9S,12S,13S,16S,18S)-16-amino-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Structure
SMILES: C[C@@H](CC[C@@]1(O)O[C@@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C33H57NO8/c1-17(16-40-30-29(38)28(37)27(36)25(15-35)41-30)7-12-33(39)18(2)26-24(42-33)14-23-21-6-5-19-13-20(34)8-10-31(19,3)22(21)9-11-32(23,26)4/h17-30,35-39H,5-16,34H2,1-4H3/t17-,18-,19-,20-,21+,22-,23-,24+,25+,26-,27-,28-,29+,30-,31-,32-,33+/m0/s1
InChIKey: YEWUMIMAJWFDQG-OTUIXMAXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum paniculatum | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 595.8180000000006
TPSA？: 154.86
MolLogP？: 2.538800000000001
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|