설퍼마이신E
1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2S-(2alpha,5alpha,6beta))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyrano syl)oxy)-, methyl ester, (1R-(1alpha,2beta,4beta))-
기본 정보
- CAS
83753-76-8- 표준 SMILES
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]4C[C@H](O)[C@H](O[C@H]5CC[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@H](C)O2)C[C@]1(O)CC(C)=O)C(=O)c1c(O)cccc1C3=O- InChIKey
ONRDFNTYASFICP-VIKSYLFQSA-N- 분자식
- C43H55NO16
- 평균 분자량
- 841.9 g/mol
- 단동위원소 질량
- 841.35208467
개요
Sulfurmycin E has been reported in Streptomyces galilaeus and Streptomyces bobili with data available.
이름 및 식별자
- 우선 이름
- 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2S-(2alpha,5alpha,6beta))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyrano syl)oxy)-, methyl ester, (1R-(1alpha,2beta,4beta))-
- IUPAC
- methyl (1R,2S,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate
- 현지명
- 설퍼마이신E
- 영어명
- sulfurmycin E
- 분자식
- C43H55NO16
- 분자량
- 841.898
이름 및 동의어
1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2S-(2alpha,5alpha,6beta))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyrano syl)oxy)-, methyl ester, (1R-(1alpha,2beta,4beta))-1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-(2-oxopropyl)-4-((2,3,6-trideoxy-4-(2,6-dideoxy-4-O-((2S-(2-alpha,5-alpha,6-beta))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-설퍼마이신Esulfurmycin E
데이터베이스 식별자
- CAS
83753-76-8- PubChem CID
- 174337
- Nikkaji
- J133.835H
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 237 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,580
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