brasilicardin A
AlkaPlorer ID: AK040403
Synonym: 'Brasilicardin A', '0406TP1'
IUPAC Name: (2S,3R)-4-[(1R,4aR,4bS,6S,7S,8aS,10aS)-6-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-5-(3-hydroxybenzoyl)oxy-6-methyloxan-2-yl]oxy-7-hydroxy-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]-2-amino-3-methoxybutanoic acid
Structure
SMILES: CO[C@H](C[C@@H]1C(C)=CC[C@H]2[C@]3(C)C[C@H](O[C@@H]4O[C@@H](C)[C@H](OC(=O)C5=CC=CC(O)=C5)[C@H](O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5N=C(C)O)[C@H]4O)[C@@H](O)C(C)(C)[C@H]3CC[C@]21C)[C@H](N)C(=O)O
InChI: InChI=1S/C45H68N2O16/c1-20-12-13-30-44(6,25(20)17-26(58-8)31(46)39(55)56)15-14-29-43(4,5)38(54)27(18-45(29,30)7)60-42-35(53)37(36(21(2)59-42)62-40(57)23-10-9-11-24(50)16-23)63-41-32(47-22(3)49)34(52)33(51)28(19-48)61-41/h9-12,16,21,25-38,41-42,48,50-54H,13-15,17-19,46H2,1-8H3,(H,47,49)(H,55,56)/t21-,25+,26+,27-,28-,29+,30+,31-,32+,33+,34+,35+,36-,37+,38+,41-,42-,44-,45+/m0/s1
InChIKey: SAZHWKBRJJLWKC-RDRVWJDDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nocardia brasiliensis | Nocardia | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 893.0370000000001
TPSA？: 289.74
MolLogP？: 2.190500000000004
Number of H-Donors: 9
Number of H-Acceptors: 16
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|