2-[6-[6-[[4a,6a,7-trimethyl-8-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl]oxy]-4-hydroxy-2-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
기본 정보
- 표준 SMILES
Cc1c(CCC(C)COC2OC(CO)C(O)C(O)C2O)ccc2c1C1(C)CCC3C(CC=C4CC(OC5OC(CO)C(OC6OC(C)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC43C)C1C2- InChIKey
CYFJCUJSESUOLZ-UHFFFAOYSA-N- 분자식
- C59H92O24
- 평균 분자량
- 1,185.3 g/mol
- 단동위원소 질량
- 1,184.59785382
이름 및 식별자
- 우선 이름
- 2-[6-[6-[[4a,6a,7-trimethyl-8-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl]oxy]-4-hydroxy-2-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
- IUPAC
- 2-[6-[6-[[4a,6a,7-trimethyl-8-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl]oxy]-4-hydroxy-2-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
물성
구조 계산 물성
- XLogP
- -0.6
- 극성 표면적
- 376 Ų
- 수소 결합 공여자 수
- 14
- 수소 결합 수용자 수
- 24
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 83
- 형식 전하
- 0
- 복잡도
- 2,170
관련 반응
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