Ralstonin B
AlkaPlorer ID: AK109033
Synonym: None
IUPAC Name: (2S,3S)-3-amino-N-[(2S,3R)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(16S,19R)-16-[(2R)-butan-2-yl]-7-methyl-13-methylidene-2,6,9,12,15,18-hexaoxo-1-oxa-5,8,11,14,17-pentazacyclohenicos-19-yl]amino]-2-oxoethyl]amino]-4-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-2-hydroxyoctadecanamide
Structure
SMILES: C=C1N=C(O)[C@H]([C@H](C)CC)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/C61H100N12O19/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-41(62)52(82)61(91)72-49(38(6)76)59(89)73-50(51(81)39-22-24-40(77)25-23-39)60(90)70-44(34-75)57(87)69-42(27-30-74)55(85)65-33-46(79)68-43-28-31-92-47(80)26-29-63-53(83)36(4)66-45(78)32-64-54(84)37(5)67-58(88)48(35(3)8-2)71-56(43)86/h22-25,35-36,38,41-44,48-52,74-77,81-82H,5,7-21,26-34,62H2,1-4,6H3,(H,63,83)(H,64,84)(H,65,85)(H,66,78)(H,67,88)(H,68,79)(H,69,87)(H,70,90)(H,71,86)(H,72,91)(H,73,89)/t35-,36?,38-,41+,42+,43-,44+,48+,49+,50+,51+,52+/m1/s1
InChIKey: SWIIRJJZYDKLGY-SOMAXPFTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ralstonia solanacearum | Ralstonia | Burkholderiaceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1305.5359999999998
TPSA？: 532.1900000000002
MolLogP？: 6.369000000000015
Number of H-Donors: 18
Number of H-Acceptors: 20
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|