佛手草皂苷IVb

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货号 (SKU)	包装规格	是否现货	价格	数量
B421806-1ml	1ml	现货

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Compound libraries (12326)

基本描述

英文别名	Saikosaponin 1bβ-D-Galactopyranoside,(3β,4α,16β)-16,23,28-trihydroxyoleana-11,13(18)-dien-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-6-deoxy-
规格或纯度	10mM in DMSO
英文名称	Buddlejasaponin IVb
生化机理	百部皂苷 IVb（Saikosaponin 1b）是金银花的一种主要成分，对癌细胞具有抗炎和细胞毒性作用。
储存温度	-80℃储存
运输条件	超低温冰袋运输
产品介绍	Information Buddlejasaponin IVb (Saikosaponin 1b), a major component of Pleurospermum kamtschaticum, exerts anti-inflammatory and cytotoxic effects against cancer cells.

IUPAC Name	(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8S,8aS,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-5-hydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
INCHI	InChI=1S/C48H78O18/c1-22-31(54)38(65-40-36(59)34(57)32(55)25(18-49)62-40)39(66-41-37(60)35(58)33(56)26(19-50)63-41)42(61-22)64-30-11-12-44(4)27(45(30,5)20-51)10-13-46(6)28(44)9-8-23-24-16-43(2,3)14-15-48(24,21-52)29(53)17-47(23,46)7/h8-9,22,25-42,49-60H,10-21H2,1-7H3/t22-,25-,26-,27-,28-,29+,30+,31+,32-,33-,34+,35+,36-,37-,38+,39-,40+,41+,42+,44+,45+,46-,47-,48-/m1/s1
InChi Key	CXSXBHMYYCPTHP-QZXFRBLOSA-N
Canonical SMILES	CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC5=C6CC(CCC6(C(CC54C)O)CO)(C)C)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O
Isomeric SMILES	C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]4([C@@H]3C=CC5=C6CC(CC[C@@]6([C@H](C[C@]54C)O)CO)(C)C)C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O
PubChem CID	91758420
分子量	943.12

DMSO(mg / mL) Max Solubility	100
DMSO(mM) Max Solubility	106.031045890237
Water(mg / mL) Max Solubility	-1
分子量	943.100 g/mol
XLogP3	0.900
氢键供体数Hydrogen Bond Donor Count	12
氢键受体数Hydrogen Bond Acceptor Count	18
可旋转键计数Rotatable Bond Count	10
精确质量Exact Mass	942.519 Da
单同位素质量Monoisotopic Mass	942.519 Da
拓扑极表面积Topological Polar Surface Area	298.000 Å²
重原子数Heavy Atom Count	66
形式电荷Formal Charge	0
复杂度Complexity	1810.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	24
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1