FCE 24366

AlkaPlorer ID: AK087030

Synonym: None

IUPAC Name: 5-[(2R,4R,5S,6aS,8S,10R,10aS)-8-[[(1R,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-[(2S)-2-hydroxypropyl]-4,10-dimethyl-4,5,6,6a,7,8,10,10a-octahydropyrano[3,4-d][1,3,6]dioxazocin-5-yl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Structure

SMILES: COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(C)=O)C[C@H]3O[C@@H]3C[C@@H]4N[C@@H](C5C(=O)N(C)C(=O)N(C)C5=O)[C@@H](C)O[C@@H](C[C@H](C)O)O[C@@H]4[C@@H](C)O3)C(O)=C1C2=O

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InChI: InChI=1S/C40H47N3O15/c1-15(44)11-24-55-16(2)31(30-37(50)42(5)39(52)43(6)38(30)51)41-21-12-25(56-17(3)36(21)58-24)57-23-14-40(53,18(4)45)13-20-27(23)35(49)29-28(33(20)47)32(46)19-9-8-10-22(54-7)26(19)34(29)48/h8-10,15-17,21,23-25,30-31,36,41,44,47,49,53H,11-14H2,1-7H3/t15-,16+,17+,21-,23+,24+,25+,31+,36+,40-/m0/s1

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InChIKey: BJEGYFWQNFXTQG-ODUMSTJCSA-N

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Source

Properties Information

Molecule Weight: 809.8220000000002

TPSA: 248.0

MolLogP: 1.235000000000001

Number of H-Donors: 5

Number of H-Acceptors: 16

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information