Cosmomycin A
AlkaPlorer ID: AK023802
Synonym: None
IUPAC Name: (9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Structure
SMILES: CC[C@@]1(O)CCC2=C(O)C3=C(C(=O)C4=CC=CC(O)=C4C3=O)C(O)=C2[C@H]1O[C@H]1C[C@H](N(C)C)[C@H](O[C@H]2CC[C@H](O[C@H]3CC[C@H](O)[C@H](C)O3)[C@H](C)O2)[C@H](C)O1
InChI: InChI=1S/C40H53NO13/c1-7-40(48)16-15-22-31(37(47)33-32(35(22)45)36(46)30-21(34(33)44)9-8-10-25(30)43)39(40)54-29-17-23(41(5)6)38(20(4)51-29)53-28-14-12-26(19(3)50-28)52-27-13-11-24(42)18(2)49-27/h8-10,18-20,23-24,26-29,38-39,42-43,45,47-48H,7,11-17H2,1-6H3/t18-,19-,20-,23-,24-,26-,27-,28-,29-,38+,39+,40+/m0/s1
InChIKey: HBOXKYFBCPFWOK-RIYWTIGOSA-N
Reference
The Anthracyclinic Complex Retamycin, 1. Structure Determination of the Major Constituents
PubChem CID: 126042
CAS: 96705-22-5
LOTUS: LTS0254322
SuperNatural Ⅲ: SN0121137-03
{NPAtlas: NPA018422
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces violaceus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 755.8580000000002
TPSA？: 193.91
MolLogP？: 3.970200000000004
Number of H-Donors: 5
Number of H-Acceptors: 14
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|