30-33
AlkaPlorer ID: AK004583
Synonym: '', 'Hassallidin A'
IUPAC Name: (2R,3S)-N-[(2R,3S)-1-[[(3S,6R,12R,15Z,18R,21R,24R,25S)-3,12-bis(3-amino-3-oxopropyl)-15-ethylidene-21-[(1S)-1-hydroxyethyl]-18-[(4-hydroxyphenyl)methyl]-7,25-dimethyl-2,5,8,11,14,17,20,23-octaoxo-6-[(1S)-1-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-2,3-dihydroxytetradecanamide
Structure
SMILES: C/C=C1\N=C(O)[C@@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H]([C@H](C)O)N=C(O)[C@H](N=C(O)[C@H](N=C(O)[C@H](O)[C@@H](O)CCCCCCCCCCC)[C@H](C)O)[C@H](C)OC(=O)[C@H](CCC(=N)O)N=C(O)[C@@H]([C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)N(C)C(=O)CN=C(O)[C@@H](CCC(=N)O)N=C1O
InChI: InChI=1S/C62H99N11O24/c1-8-10-11-12-13-14-15-16-17-18-40(78)49(82)60(93)71-46(31(4)76)57(90)72-47-32(5)95-61(94)38(24-26-43(64)80)68-59(92)48(33(6)96-62-52(85)51(84)50(83)41(29-74)97-62)73(7)44(81)28-65-53(86)37(23-25-42(63)79)67-54(87)36(9-2)66-55(88)39(27-34-19-21-35(77)22-20-34)69-56(89)45(30(3)75)70-58(47)91/h9,19-22,30-33,37-41,45-52,62,74-78,82-85H,8,10-18,23-29H2,1-7H3,(H2,63,79)(H2,64,80)(H,65,86)(H,66,88)(H,67,87)(H,68,92)(H,69,89)(H,70,91)(H,71,93)(H,72,90)/b36-9-/t30-,31-,32-,33-,37+,38-,39+,40-,41+,45+,46+,47+,48+,49+,50+,51-,52-,62+/m0/s1
InChIKey: TZKSEIAJQMPEJX-NZPVCCOFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Tolypothrichaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1382.527
TPSA？: 596.0200000000002
MolLogP？: 2.7146400000000144
Number of H-Donors: 21
Number of H-Acceptors: 24
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|