2-[(2R,3S,4S,5R,6S)-2-hydroxy-6-[(1R)-1-[(2S,5R,7S,8R,9S)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-[(2S,5R,6S)-5-methoxy-6-methyloxan-2-yl]oxyoxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-4,5-dimethoxy-3-methyloxan-2-yl]acetic acid
기본 정보
- 표준 SMILES
CO[C@@H]1[C@@H](OC)[C@H](C)[C@@](O)(CC(=O)O)O[C@H]1[C@H](C)[C@H]1O[C@@]2(CC[C@@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](C)(O)[C@H](C)C[C@@H]5C)C[C@@H]4O[C@H]4CC[C@@H](OC)[C@H](C)O4)O3)O2)C[C@H](O)[C@H]1C- InChIKey
WXGIIUXDDORBHJ-IIHJWRHBSA-N- 분자식
- C46H78O16
- 평균 분자량
- 887.1 g/mol
- 단동위원소 질량
- 886.52898642
개요
Maduramycin is a C-glycosyl compound.
이름 및 식별자
- 우선 이름
- 2-[(2R,3S,4S,5R,6S)-2-hydroxy-6-[(1R)-1-[(2S,5R,7S,8R,9S)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-[(2S,5R,6S)-5-methoxy-6-methyloxan-2-yl]oxyoxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-4,5-dimethoxy-3-methyloxan-2-yl]acetic acid
- IUPAC
- 2-[(2R,3S,4S,5R,6S)-2-hydroxy-6-[(1R)-1-[(2S,5R,7S,8R,9S)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-[(2S,5R,6S)-5-methoxy-6-methyloxan-2-yl]oxyoxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-4,5-dimethoxy-3-methyloxan-2-yl]acetic acid
이름 및 동의어
CHEBI:2003422-[(2R,3S,4S,5R,6S)-2-hydroxy-6-[(1R)-1-[(2S,5R,7S,8R,9S)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-[(2S,5R,6S)-5-methoxy-6-methyloxan-2-yl]oxyoxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-4,5-dimethoxy-3-methyloxan-2-yl]acetic acid
데이터베이스 식별자
- ChEBI
CHEBI:200342
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 200 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 62
- 형식 전하
- 0
- 복잡도
- 1,560
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…