2-[3-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[[6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
기본 정보
- 표준 SMILES
CC(CCC1(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C7O)C(OC7OC(C)C(O)C(O)C7O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O- InChIKey
GBJNYQMAQNLXCC-UHFFFAOYSA-N- 분자식
- C50H82O22
- 평균 분자량
- 1,035.2 g/mol
- 단동위원소 질량
- 1,034.52977426
이름 및 식별자
- 우선 이름
- 2-[3-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[[6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
- IUPAC
- 2-[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[[6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
물성
구조 계산 물성
- XLogP
- -1.1
- 극성 표면적
- 346 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 22
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 72
- 형식 전하
- 0
- 복잡도
- 1,870
관련 반응
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