[6-[7-[4-[6-(Acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
기본 정보
- 표준 SMILES
CC(=O)OCC1OC(OC2C(O)C(CO)OC(Oc3cc(O)c4c(=O)c(OC5OC(COC(=O)C=Cc6ccc(O)c(O)c6)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)c(-c5ccc(O)cc5)oc4c3)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O- InChIKey
HTVWZHKNEHKTEG-UHFFFAOYSA-N- 분자식
- C56H68O34
- 평균 분자량
- 1,285.1 g/mol
- 단동위원소 질량
- 1,284.35919926
이름 및 식별자
- 우선 이름
- [6-[7-[4-[6-(Acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
- IUPAC
- [6-[7-[4-[6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
물성
구조 계산 물성
- XLogP
- -4
- 극성 표면적
- 535 Ų
- 수소 결합 공여자 수
- 18
- 수소 결합 수용자 수
- 34
- 회전 가능 결합 수
- 21
- 무거운 원자 수
- 90
- 형식 전하
- 0
- 복잡도
- 2,430
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