Chem
J-GLOBAL ID:200907002974600482   Nikkaji number:J1.251.332A

(8S)-1-Methoxy-6,8α,11-trihydroxy-8-(hydroxyacetyl)-10α-[3-(L-Ser-Gly-amino)-2,3,6-trideoxy-α-L-lyxo-hexopyranosyloxy]-7,8,9,10-tetrahydro-5,12-naphthacenedione

(8S)-1-メトキシ-6,8α,11-トリヒドロキシ-8-(ヒドロキシアセチル)-10α-[3-(L-Ser-Gly-アミノ)-2,3,6-トリデオキシ-α-L-lyxo-ヘキソピラノシルオキシ]-7,8,9,10-テトラヒドロ-5,12-ナフタセンジオン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C32H37N3O14
Molecular formula furigana: C32-H37-N3-O14
Molecular weight: 687.655
InChI: InChI=1S/C32H37N3O14/c1-12-26(40)16(35-20(39)9-34-31(45)15(33)10-36)6-21(48-12)49-18-8-32(46,19(38)11-37)7-14-23(18)30(44)25-24(28(14)42)27(41)13-4-3-5-17(47-2)22(13)29(25)43/h3-5,12,15-16,18,21,26,36-37,40,42,44,46H,6-11,33H2,1-2H3,(H,34,45)(H,35,39)/t12-,15-,16-,18-,21-,26+,32-/m0/s1
InChI key: DYYSLYLGHGQQSP-JSJGBNIBSA-N
SMILES: COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NC(=O)CNC(=O)[C@@H](N)CO)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
Systematic name  (3):
  • (8S)-1-メトキシ-6,8α,11-トリヒドロキシ-8-(ヒドロキシアセチル)-10α-[3-(L-Ser-Gly-アミノ)-2,3,6-トリデオキシ-α-L-lyxo-ヘキソピラノシルオキシ]-7,8,9,10-テトラヒドロ-5,12-ナフタセンジオン
  • (2S)-2-アミノ-3-ヒドロキシ-N-({[(2S,3S,4S,6R)-3-ヒドロキシ-2-メチル-6-{[(1S,3S)-3,5,12-トリヒドロキシ-3-(2-ヒドロキシアセチル)-10-メトキシ-6,11-ジオキソ-1,2,3,4,6,11-ヘキサヒドロテトラセン-1-イル]オキシ}オキサン-4-イル]カルバモイル}メチル)プロパンアミド
  • (2S)-2-amino-3-hydroxy-N-({[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-{[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}oxan-4-yl]carbamoyl}methyl)propanamide
Other name (1):
  • (8S)-1-Methoxy-6,8α,11-trihydroxy-8-(hydroxyacetyl)-10α-[3-(L-Ser-Gly-amino)-2,3,6-trideoxy-α-L-lyxo-hexopyranosyloxy]-7,8,9,10-tetrahydro-5,12-naphthacenedione
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