L-Daunosaminyl-epsilon-rhodomycinone

AlkaPlorer ID: AK004246

Synonym: 'L-daunosaminyl-epsilon-rhodomycinone', 'D778-6', 'C12426'

IUPAC Name: methyl (2R)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Structure

SMILES: CC[C@@]1(O)CC(OC2CC(N)C(O)C(C)O2)C2=C(O)C3=C(C(=O)C4=CC=CC(O)=C4C3=O)C(O)=C2C1C(=O)OC

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InChI: InChI=1S/C28H31NO11/c1-4-28(37)9-14(40-15-8-12(29)22(31)10(2)39-15)17-18(21(28)27(36)38-3)26(35)19-20(25(17)34)24(33)16-11(23(19)32)6-5-7-13(16)30/h5-7,10,12,14-15,21-22,30-31,34-35,37H,4,8-9,29H2,1-3H3/t10?,12?,14?,15?,21?,22?,28-/m1/s1

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InChIKey: CADJZGPRUYOSGU-FCJBHWCJSA-N

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Source

Properties Information

Molecule Weight: 557.5520000000002

TPSA: 206.07

MolLogP: 1.261

Number of H-Donors: 6

Number of H-Acceptors: 12

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information