Pradimicin D
AlkaPlorer ID: AK090202
Synonym: 'Pradimicin D', 'BU 3608D'
IUPAC Name: 2-[[(5R,6S)-1,6,9,14-tetrahydroxy-5-[(2S,3S,4S,5S,6S)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid
Structure
SMILES: CN[C@@H]1[C@H](O[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2C3=CC(C)=C(C(O)=NCC(=O)O)C(O)=C3C3=C(O)C4=C(C=C3[C@@H]2O)C(=O)C2=C(O)C=C(OC)C=C2C4=O)O[C@H]1C
InChI: InChI=1S/C39H42N2O18/c1-11-5-17-24(31(50)21(11)37(54)41-9-20(44)45)23-15(8-16-25(32(23)51)28(47)14-6-13(55-4)7-18(42)22(14)27(16)46)29(48)35(17)58-39-34(53)36(26(40-3)12(2)57-39)59-38-33(52)30(49)19(43)10-56-38/h5-8,12,19,26,29-30,33-36,38-40,42-43,48-53H,9-10H2,1-4H3,(H,41,54)(H,44,45)/t12-,19+,26-,29-,30+,33+,34-,35+,36-,38+,39-/m0/s1
InChIKey: XTZUCVXVWVTYDG-WUCRNJOSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinomadura hibisca | Actinomadura | Thermomonosporaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 826.7610000000003
TPSA？: 324.05
MolLogP？: -0.4253799999999963
Number of H-Donors: 11
Number of H-Acceptors: 18
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|