rhodomycins a
AlkaPlorer ID: AK001400
Synonym: 'Rhodomycin A', 'Beta-Rhodomycin-II', 'RHODOMYCIN A\nRhodomycin A'
IUPAC Name: (7S,9R,10R)-7,10-bis[[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-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)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)C2=C(C(O)=C3C(=O)C4=C(C(=O)C3=C2O)C(O)=CC=C4)[C@H]1O[C@H]1C[C@H](N(C)C)[C@H](O)[C@H](C)O1
InChI: InChI=1S/C36H48N2O12/c1-8-36(46)14-21(49-22-12-18(37(4)5)29(40)15(2)47-22)25-28(35(36)50-23-13-19(38(6)7)30(41)16(3)48-23)34(45)26-27(33(25)44)32(43)24-17(31(26)42)10-9-11-20(24)39/h9-11,15-16,18-19,21-23,29-30,35,39-41,44-46H,8,12-14H2,1-7H3/t15-,16-,18-,19-,21-,22-,23-,29+,30+,35+,36+/m0/s1
InChIKey: NWPIUETWDSWOKV-ZUOHIMJMSA-N
Reference
PubChem CID: 9896436
CAS: 23666-50-4
LOTUS: LTS0068770
SuperNatural Ⅲ: SN0257213-05
NPASS: NPC15100
Source
Properties Information
Molecule Weight: 700.7820000000003
TPSA?: 198.92
MolLogP?: 2.091
Number of H-Donors: 6
Number of H-Acceptors: 14
RingCount: 6
Activities Information
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