Bu 3608FA2
AlkaPlorer ID: AK050834
Synonym: 'Pradimicin FA 2'
IUPAC Name: (2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5S,6S)-5-amino-3-hydroxy-6-methyl-4-[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]-3-hydroxypropanoic acid
Structure
SMILES: COC1=CC(O)=C2C(=O)C3=CC4=C(C(O)=C3C(=O)C2=C1)C1=C(O)C(C(O)=N[C@H](CO)C(=O)O)=C(C)C=C1[C@H](O[C@@H]1O[C@@H](C)[C@H](N)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@H]1O)[C@H]4O
InChI: InChI=1S/C39H42N2O19/c1-10-4-16-23(30(49)20(10)36(53)41-17(8-42)37(54)55)22-14(7-15-24(31(22)50)27(46)13-5-12(56-3)6-18(43)21(13)26(15)45)28(47)34(16)59-39-33(52)35(25(40)11(2)58-39)60-38-32(51)29(48)19(44)9-57-38/h4-7,11,17,19,25,28-29,32-35,38-39,42-44,47-52H,8-9,40H2,1-3H3,(H,41,53)(H,54,55)/t11-,17+,19-,25-,28-,29-,32-,33+,34-,35-,38-,39-/m0/s1
InChIKey: JNJSOWKXFVKKCL-ANRQNWRLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinomadura hibisca | Actinomadura | Thermomonosporaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 842.7600000000006
TPSA？: 358.2700000000001
MolLogP？: -1.3251799999999985
Number of H-Donors: 12
Number of H-Acceptors: 19
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|