프테로스핀

1-[2,4-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-3-hydroxy-3-(4-hydroxyphenyl)propan-1-one

HCID 133775CAS 81861-73-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(CC(O)c1ccc(O)cc1)c1ccc(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
InChIKey
PXLWOFBAEVGBOA-VSTWLLMASA-N
분자식
C21H24O10
평균 분자량
436.4 g/mol
단동위원소 질량
436.13694697

개요

1-[2,4-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-3-hydroxy-3-(4-hydroxyphenyl)propan-1-one has been reported in Pterocarpus marsupium with data available.

이름 및 식별자

우선 이름
1-[2,4-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-3-hydroxy-3-(4-hydroxyphenyl)propan-1-one
IUPAC
1-[2,4-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-3-hydroxy-3-(4-hydroxyphenyl)propan-1-one
현지명
프테로스핀
영어명
pterosupin
분자식
C21H24O10
분자량
436.40926

이름 및 동의어

1-[2,4-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-3-hydroxy-3-(4-hydroxyphenyl)propan-1-oneSCHEMBL599068DTXSID3010022761-Propanone, 1-(3-beta-D-glucopyranosyl-2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)-1,5-Anhydro-1-{2,6-dihydroxy-3-[3-hydroxy-3-(4-hydroxyphenyl)propanoyl]phenyl}hexitol(1S)-1,5-Anhydro-1-{2,6-dihydroxy-3-[3-hydroxy-3-(4-hydroxyphenyl)propanoyl]phenyl}-D-glucitol1-(2,4-Dihydroxy-3-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)phenyl)-3-hydroxy-3-(4-hydroxyphenyl)propan-1-one프테로스핀pterosupin

데이터베이스 식별자

CAS
81861-73-6
PubChem CID
133775
DTXSID
DTXSID301002276
Nikkaji
J869.489C

물성

구조 계산 물성

XLogP
-0.6
극성 표면적
188 Ų
수소 결합 공여자 수
8
수소 결합 수용자 수
10
회전 가능 결합 수
6
무거운 원자 수
31

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