아빌라마이신B
Avilamycin B
기본 정보
- CAS
73240-30-9- 표준 SMILES
COC[C@H]1O[C@@H](O[C@@H]2OC[C@@H]3O[C@]4(O[C@H]3[C@H]2OC(C)=O)O[C@H](C)[C@@](O)(C(C)=O)[C@@H]2OCO[C@H]24)[C@@H](OC)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](OC)[C@H](O[C@H]2C[C@@]3(C)OC4(C[C@@H](O)[C@H](O[C@H]5C[C@@H](O)[C@H](OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6OC)[C@@H](C)O5)[C@@H](C)O4)O[C@@H]3[C@@H](C)O2)[C@H]1O- InChIKey
VVIAOPGTVSECTI-KVXQKUCTSA-N- 분자식
- C59H84Cl2O32
- 평균 분자량
- 1,376.2 g/mol
- 단동위원소 질량
- 1,374.4322759
개요
Unii-09Q4B44I8C has been reported in Streptomyces curacoi and Streptomyces cyaneus with data available.
이름 및 식별자
- 우선 이름
- Avilamycin B
- IUPAC
- [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,6'R,7R,7'S,7aR,7'aR)-7'-acetyl-7-acetyloxy-7'-hydroxy-6'-methylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4'-hydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-hydroxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
- 현지명
- 아빌라마이신B
- 영어명
- Avilamycin B
- 분자식
- C59H84Cl2O32
- 분자량
- 1376.19
이름 및 동의어
Curamycin AAVILAMYCIN B09Q4B44I8C73240-30-9DTXSID40223473CHEBI:71987RefChem:128856DTXCID40145964((2R,3S,4R,6S)-6-((2'R,3'S,3aR,4R,4'R,6S,7aR)-6-((2S,3R,4R,5S,6R)-2-((2R,3S,4S,5S,6S)-6-((2R,3aS,3'aR,6S,6'R,7R,7'S,7aR,7'aR)-7'-acetyl-7-acetyloxy-7'-hydroxy-6'-methylspiro(4,6,7,7a-tetrahydro-3aH-(1,3)dioxolo(4,5-c)pyran-2,4'-6,7a-dihydro-3aH-(1,3)dioxolo(4,5-c)pyran)-6-yl)oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl)oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl)oxy-4'-hydroxy-2',4,7a-trimethylspiro(3a,4,6,7-tetrahydro-(1,3)dioxolo(4,5-c)pyran-2,6'-oxane)-3'-yl)oxy-4-hydroxy-2-methyloxan-3-yl) 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoatebeta-D-Mannopyranoside, O-(1R)-4-C-acetyl-6-deoxy-2,3-O-methylene-D-galactopyranosylidene-(1-3-4)-2-O-acetyl-alpha-L-lyxopyranosyl O-2,6-dideoxy-4-O-(3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoyl)-beta-D-arabino-hexopyranosyl-(1-4)-O-2,6-dideoxy-D-arabino-hexopyranosylidene-(1-3-4)-O-2,6-dideoxy-3-C-methyl-beta-D-arabino-hexopyranosyl-(1-3)-O-6-deoxy-4-O-methyl-beta-D-galactopyranosyl-(1-4)-2,6-di-O-methyl-
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 385 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 32
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 93
- 형식 전하
- 0
- 복잡도
- 2,610
물리화학적 성질
- 밀도
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.94 · 4.94±0.35(Predicted)
화학 및 산업
추가 설명
정의ChEBI: A polyketide antibiotic produced by Streptomyces curacoi.
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