[(2S,3S,4S,5R,6S)-6-[(2S,3S,4R,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
기본 정보
- 표준 SMILES
C[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)c3c2=O)[C@@H](O[C@@H]2O[C@@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O- InChIKey
SHRUKDVTMUBNTL-LSFCDDLCSA-N- 분자식
- C42H46O23
- 평균 분자량
- 918.8 g/mol
- 단동위원소 질량
- 918.24298773
이름 및 식별자
- 우선 이름
- [(2S,3S,4S,5R,6S)-6-[(2S,3S,4R,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
- IUPAC
- [(2S,3S,4S,5R,6S)-6-[(2S,3S,4R,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
물성
구조 계산 물성
- XLogP
- -0.8
- 극성 표면적
- 371 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 23
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 65
- 형식 전하
- 0
- 복잡도
- 1,670
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