Glycine, N-((11-cyano-5-((6-deoxy-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-

HCID 461702

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기본 정보

CAS: 153619-42-2
표준 SMILES: Cc1cc2c(c(O)c1C(=O)NCC(=O)O)-c1c(cc3c(c1O)C(=O)c1cc(C#N)cc(O)c1C3=O)[C@H](O)[C@H]2O[C@@H]1O[C@H](C)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
InChIKey: PTGNCZMUWOFXCT-FPDYCEOPSA-N
분자식: C38H36N2O18
평균 분자량: 808.702 g/mol
단동위원소 질량: 808.19631231

우선 이름: Glycine, N-((11-cyano-5-((6-deoxy-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-
IUPAC: {[(5S,6S)-11-Cyano-5-{[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carbonyl]amino}acetic acid

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CAS: 153619-42-2
표준 SMILES: Cc1cc2c(c(O)c1C(=O)NCC(=O)O)-c1c(cc3c(c1O)C(=O)c1cc(C#N)cc(O)c1C3=O)[C@H](O)[C@H]2O[C@@H]1O[C@H](C)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
InChIKey: PTGNCZMUWOFXCT-FPDYCEOPSA-N
분자식: C38H36N2O18
평균 분자량: 808.702 g/mol
단동위원소 질량: 808.19631231

우선 이름: Glycine, N-((11-cyano-5-((6-deoxy-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-
IUPAC: {[(5S,6S)-11-Cyano-5-{[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carbonyl]amino}acetic acid

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