기본 정보
- CAS
99260-66-9- 표준 SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)C[C@H](c3ccc4c(c3O)C(=O)C3=C(C4=O)[C@@]4(O)C(=O)C[C@](C)(O)C[C@@]4(O)C=C3)O[C@@H]2C)C=CC1=O- InChIKey
XVKBERYQCGDFEY-ABMGXXCISA-N- 분자식
- C31H32O12
- 평균 분자량
- 596.6 g/mol
개요
Saquayamycins A1 has been reported in Streptomyces with data available.
이름 및 식별자
- 우선 이름
- Saquayamycins A1
- IUPAC
- (3R,4aR,12bS)-3,4a,8,12b-tetrahydroxy-9-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
- 영어명
- (3R)-9-[4-O-[(2R,6S)-5,6-Dihydro-6-methyl-5-oxo-2H-pyran-2-yl]-2,6-dideoxy-β-D-arabino-hexopyranosyl]-3,4,4a,12b-tetrahydro-3α,4aα,8,12bα-tetrahydroxy-3-methylbenz[a]anthracene-1,7,12(2H)-trione
- 분자식
- C31H32O12
- 분자량
- 596.57858
이름 및 동의어
Saquayamycins A1(3R,4aR,12bS)-3,4a,8,12b-tetrahydroxy-9-((2R,4R,5S,6R)-4-hydroxy-6-methyl-5-(((2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl)oxy)oxan-2-yl)-3-methyl-2,4-dihydrobenzo(a)anthracene-1,7,12-trione(3R,4aR,12bS)-3,4a,8,12b-tetrahydroxy-9-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trioneRefChem:181300CHEMBL2071401BDBM50390001Saquayamycin A1(3R)-9-[4-O-[(2R,6S)-5,6-Dihydro-6-methyl-5-oxo-2H-pyran-2-yl]-2,6-dideoxy-β-D-arabino-hexopyranosyl]-3,4,4a,12b-tetrahydro-3α,4aα,8,12bα-tetrahydroxy-3-methylbenz[a]anthracene-1,7,12(2H)-trione
데이터베이스 식별자
- CAS
99260-66-9- ChEMBL
CHEMBL2071401- Nikkaji
- J55.697A
물성
구조 계산 물성
- XLogP
- -0.3
- 극성 표면적
- 197 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,350
화학 및 산업
공급사3 곳
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
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