N''-{3-[(diaminomethylidene)amino]-4-({3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]-4-formyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl}oxy)-2,5,6-trihydroxycyclohexyl}guanidine
AlkaPlorer ID: AK044613
Synonym: None
IUPAC Name: 2-[(1R,2S,3R,4R,5S,6R)-3-(diaminomethylideneamino)-4-[(2R,5S)-3-[(3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]-4-formyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine
Structure
SMILES: CN[C@@H]1C(C2[C@H](O[C@H]3[C@@H](O)[C@H](O)[C@H](NC(=N)N)[C@H](O)[C@H]3NC(=N)N)O[C@@H](CO)C2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O
InChI: InChI=1S/C21H39N7O12/c1-26-9-14(35)11(32)5(2-29)38-16(9)7-18(39-6(3-30)21(7,37)4-31)40-17-10(28-20(24)25)12(33)8(27-19(22)23)13(34)15(17)36/h4-18,26,29-30,32-37H,2-3H2,1H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7?,8+,9-,10+,11-,12-,13+,14-,15-,16?,17+,18-,21?/m0/s1
InChIKey: YSRDCKQXNRQPTP-LAXMEKGTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Corydalis yanhusuo | Corydalis | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Papaver somniferum | Papaver | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Annona reticulata | Annona | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 581.5800000000004
TPSA？: 342.43000000000006
MolLogP？: -8.495860000000013
Number of H-Donors: 15
Number of H-Acceptors: 15
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|