기본 정보
- CAS
101247-84-1- 표준 SMILES
O=C(OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
JGBPNQSHUMFCHA-RHYMDBNLSA-N- 분자식
- C26H32O14
- 평균 분자량
- 568.5 g/mol
- 단동위원소 질량
- 568.17920569
개요
Virgaureoside A has been reported in Prunus grayana with data available.
이름 및 식별자
- 우선 이름
- Virgaureoside A
- IUPAC
- [2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
이름 및 동의어
Virgaureoside A101247-84-1DTXSID201438072-beta-D-Glucopyranosyloxybenzoic acid-2'-beta-D-glucopyranosyloxybenzyl ester[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate(2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)methyl 2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxybenzoateRefChem:194429DTXCID0066298Benzoic acid, 2-(beta-D-glucopyranosyloxy)-, (2-(beta-D-glucopyranosyloxy)phenyl)methyl ester[2-(beta-D-Glucopyranosyloxy)phenyl]methyl 2-(beta-D-glucopyranosyloxy)benzoateBenzoic acid, 2-(beta-D-glucopyranosyloxy)-, (2-(beta-D-glucopyranosyloxy)phenyl)methyl ester
데이터베이스 식별자
- CAS
101247-84-1- PubChem CID
- 180953
- DTXSID
DTXSID20143807- Nikkaji
- J2.315.868J
물성
구조 계산 물성
- XLogP
- -1.1
- 극성 표면적
- 225 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 801
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