기본 정보
- CAS
156928-68-6- 표준 SMILES
CC1CCC2(OC1)OC1CC3(O)C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C- InChIKey
BSPJQLDWNQBHGY-UHFFFAOYSA-N- 분자식
- C50H80O23
- 평균 분자량
- 1,049.2 g/mol
- 단동위원소 질량
- 1,048.50903879
개요
a steroidal saponin; isolated from Polygonatum odoratum; structure given in first source
이름 및 식별자
- 우선 이름
- Pod-II
- IUPAC
- 2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(2-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- 현지명
- 포드-II
- 영어명
- POD-II
- 분자식
- C50H80O23
- 분자량
- 1049.16
이름 및 동의어
Pod-II156928-68-6RefChem:1749923-O-beta-D-Glucopyranosyl-(1-2)-(beta-D-xylopyranosyl-(1-3))-beta-D-glucopyranosyl-(1-4)-galactopyranosyl-25(R)-spirost-5-en-3beta,14alpha-diolDTXSID3093557314-hydroxyspirost-5-en-3-yl hexopyranosyl-(1->2)-[pentopyranosyl-(1->3)]hexopyranosyl-(1->4)hexopyranoside2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(2-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol포드-IIβ-D-Galactopyranoside, (3β,25R)-14-hydroxyspirost-5-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)- (9CI)
데이터베이스 식별자
- CAS
156928-68-6- PubChem CID
- 190860
- DTXSID
DTXSID30935573
물성
구조 계산 물성
- XLogP
- -2.4
- 극성 표면적
- 355 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 23
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 73
- 형식 전하
- 0
- 복잡도
- 1,950
화학 및 산업
공급사1 곳
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
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