Ralstonin A
AlkaPlorer ID: AK037887
Synonym: None
IUPAC Name: (2S,3S)-3-amino-2-hydroxy-N-[(2S,3R)-3-hydroxy-1-[[(1S,2S)-1-hydroxy-3-[[(2S)-3-hydroxy-1-[[(2S)-4-hydroxy-1-[[2-[[(16S,19R)-7-methyl-13-methylidene-2,6,9,12,15,18-hexaoxo-16-propan-2-yl-1-oxa-5,8,11,14,17-pentazacyclohenicos-19-yl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-1-oxobutan-2-yl]octadecanamide
Structure
SMILES: C=C1N=C(O)[C@H](C(C)C)N=C(O)[C@H](N=C(O)CN=C(O)[C@H](CCO)N=C(O)[C@H](CO)N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)[C@@H](O)[C@@H](N)CCCCCCCCCCCCCCC)[C@@H](C)O)[C@@H](O)C2=CC=C(O)C=C2)CCOC(=O)CCN=C(O)C(C)N=C(O)CN=C1O
InChI: InChI=1S/C60H98N12O19/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-40(61)51(81)60(90)71-48(37(6)75)58(88)72-49(50(80)38-21-23-39(76)24-22-38)59(89)69-43(33-74)56(86)68-41(26-29-73)54(84)64-32-45(78)67-42-27-30-91-46(79)25-28-62-52(82)35(4)65-44(77)31-63-53(83)36(5)66-57(87)47(34(2)3)70-55(42)85/h21-24,34-35,37,40-43,47-51,73-76,80-81H,5,7-20,25-33,61H2,1-4,6H3,(H,62,82)(H,63,83)(H,64,84)(H,65,77)(H,66,87)(H,67,78)(H,68,86)(H,69,89)(H,70,85)(H,71,90)(H,72,88)/t35?,37-,40+,41+,42-,43+,47+,48+,49+,50+,51+/m1/s1
InChIKey: FPTGUQRTQZPCCQ-JFECJPGOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ralstonia solanacearum | Ralstonia | Burkholderiaceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1291.5089999999998
TPSA？: 532.1900000000002
MolLogP？: 5.978900000000013
Number of H-Donors: 18
Number of H-Acceptors: 20
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|