기본 정보
- 표준 SMILES
CC(=O)O[C@@H]1[C@H](O)[C@@H](OC[C@@H]2O[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@@H](O)[C@H](O)[C@@H]2O)O[C@H](C)[C@@H]1O[C@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O- InChIKey
XPKGZGVHRJPRJJ-WEPCCUGASA-N- 분자식
- C35H42O20
- 평균 분자량
- 782.7 g/mol
- 단동위원소 질량
- 782.22694374
개요
[(2S,3S,4R,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-6-methyl-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl] acetate has been reported in Actinidia polygama with data available.
이름 및 식별자
- 우선 이름
- [(2S,3S,4R,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-6-methyl-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl] acetate
- IUPAC
- [(2S,3S,4R,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-6-methyl-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl] acetate
물성
구조 계산 물성
- XLogP
- -1.5
- 극성 표면적
- 310 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,370
관련 반응
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