Brasilicardin B
AlkaPlorer ID: AK053391
Synonym: None
IUPAC Name: (2S)-4-[(1S,4aS,4bS,6S,7S,8aS,10aS)-6-[(2S,3R,4S,5S,6S)-4-[(2S,3R,4R,5S,6R)-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-aminobutanoic acid
Structure
SMILES: CC1=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@@]2(C)[C@H]1CC[C@H](N)C(=O)O
InChI: InChI=1S/C44H66N2O15/c1-20-11-14-30-43(6,25(20)12-13-26(45)38(54)55)16-15-29-42(4,5)37(53)27(18-44(29,30)7)58-41-34(52)36(35(21(2)57-41)60-39(56)23-9-8-10-24(49)17-23)61-40-31(46-22(3)48)33(51)32(50)28(19-47)59-40/h8-11,17,21,25-37,40-41,47,49-53H,12-16,18-19,45H2,1-7H3,(H,46,48)(H,54,55)/t21-,25-,26-,27-,28+,29+,30-,31+,32+,33+,34+,35-,36-,37+,40-,41-,43-,44+/m0/s1
InChIKey: UXTLGDFTYRZDJZ-LLZWJAEPSA-N
Reference
Brasilicardins B–D, new tricyclic terpernoids from actinomycete Nocardia brasiliensis
PubChem CID: 11297468
LOTUS: LTS0233695
{NPAtlas: NPA005446
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nocardia brasiliensis | Nocardia | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 863.0109999999999
TPSA？: 280.51
MolLogP？: 2.565600000000003
Number of H-Donors: 9
Number of H-Acceptors: 15
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|