(7R,8R,10S)-10-{[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-7-{[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-8-ethyl-1,4,6,8,11-pentahydroxy-9,10-dihydro-7H-tetracene-5,12-dione
AlkaPlorer ID: AK048623
Synonym: None
IUPAC Name: (7S,9R,10R)-7,10-bis[[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy]-9-ethyl-1,4,6,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Structure
SMILES: CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)C2=C(O)C3=C(C(=O)C4=C(O)C=CC(O)=C4C3=O)C(O)=C2[C@H]1O[C@H]1C[C@H](N(C)C)[C@H](O)[C@H](C)O1
InChI: InChI=1S/C36H48N2O13/c1-8-36(47)13-20(50-21-11-16(37(4)5)29(41)14(2)48-21)25-28(35(36)51-22-12-17(38(6)7)30(42)15(3)49-22)34(46)27-26(33(25)45)31(43)23-18(39)9-10-19(40)24(23)32(27)44/h9-10,14-17,20-22,29-30,35,39-42,45-47H,8,11-13H2,1-7H3/t14-,15-,16-,17-,20-,21-,22-,29+,30+,35+,36+/m0/s1
InChIKey: ZWVCTHFFGBPZIN-OCSXNPFMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces purpurascens | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 716.7810000000003
TPSA？: 219.15
MolLogP？: 1.7966000000000002
Number of H-Donors: 7
Number of H-Acceptors: 15
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|