기본 정보
- CAS
61032-80-2- 표준 SMILES
CCC(O)/C=C/C=C/C=C/C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(=O)/C=C/C=C/CC(O)/C(C)=C/C=C/CCC(C)CC)[C@@H](O)[C@@]3(OCc4cc(O)cc(O)c43)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O- InChIKey
UJLFRJFJTPPIOK-DOERTBJDSA-N- 분자식
- C47H64O17
- 평균 분자량
- 901 g/mol
- 단동위원소 질량
- 900.41435057
개요
from Papularia sphaerosperma; inhibits growth of Candida albicans
이름 및 식별자
- 우선 이름
- Papulacandin B
- IUPAC
- [(3S,3'R,4'R,5'R,6'R)-3',4,6-trihydroxy-6'-(hydroxymethyl)-5'-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2E,4E,6E)-8-hydroxydeca-2,4,6-trienoyl]oxymethyl]oxan-2-yl]oxyspiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] (2E,4E,8E,10E)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate
- 영어명
- 1,1-O-(4,6-Dihydroxy-1,2-phenylenemethylene)-4-O-[6-O-(8-hydroxy-1-oxodeca-2,4,6-trienyl)-β-D-galactopyranosyl]-α-D-glucopyranose 3-(7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate)
- 분자식
- C47H64O17
- 분자량
- 901
이름 및 동의어
Papulacandin BDTXSID001027536alpha-D-Glucopyranose, 1,16-anhydro-1-C-(2,4-dihydroxy-6-(hydroxymethyl)phenyl)-4-O-(6-O-(8-hydroxy-1-oxo-2,4,6-decatrienyl)-beta-D-galactopyranosyl)-, 3-(7-hydroxy-8,14-dimethyl-2,4,8,10-hexadecatetraenoate)CHEBI:569624RefChem:928575DTXCID401765477(1S,3'R,4'R,5'R,6'R)-3',5,7-trihydroxy-5'-((6-O-((2E,4Z,6E)-8-hydroxydeca-2,4,6-trienoyl)-beta-D-galactopyranosyl)oxy)-6'-(hydroxymethyl)-3',4',5',6'-tetrahydro-3H-spiro(2-benzofuran-1,2'-pyran)-4'-yl (2E,4E,7S,8E,10E,14S)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate61032-80-2A-32283-B[(3S,3'R,4'R,5'R,6'R)-3',4,6-trihydroxy-6'-(hydroxymethyl)-5'-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2E,4E,6E)-8-hydroxydeca-2,4,6-trienoyl]oxymethyl]oxan-2-yl]oxyspiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] (2E,4E,8E,10E)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoateCHEMBL448981SCHEMBL29386811
이름 더 보기
Papulacandin C
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 272 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 23
- 무거운 원자 수
- 64
- 형식 전하
- 0
- 복잡도
- 1,670
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationSubstances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.
공급사1 곳
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
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