[6-[2-[2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
기본 정보
- 표준 SMILES
CC1OC(Oc2cc(O)c3c(=O)c(OC4OC(C)C(O)C(O)C4OC4OC(COC(=O)C=Cc5ccc(O)cc5)C(O)C(O)C4O)c(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O- InChIKey
QQEHQKHTNVQKRA-UHFFFAOYSA-N- 분자식
- C42H46O22
- 평균 분자량
- 902.8 g/mol
- 단동위원소 질량
- 902.24807311
이름 및 식별자
- 우선 이름
- [6-[2-[2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
- IUPAC
- [6-[2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
물성
구조 계산 물성
- XLogP
- -0.3
- 극성 표면적
- 351 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 22
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 64
- 형식 전하
- 0
- 복잡도
- 1,660
관련 반응
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