Basic information
- CAS
135272-91-2- Standard SMILES
CC1(C)CC(=O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1- InChIKey
JTXVTHCLTOUSSL-UHFFFAOYSA-N- Molecular formula
- C48H76O19
- Average molar mass
- 957.1 g/mol
- Monoisotopic mass
- 956.49808019
Overview
Soyasaponin Bd has been reported in Glycine max, Impatiens siculifer, and Phaseolus vulgaris with data available.
Names & identifiers
- Preferred name
- Sandosaponin A
- IUPAC
- 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]oxane-2-carboxylic acid
- English name
- Soyasaponin Bd
- Molecular formula
- C48H76O19
- Molecular weight
- 957.11
Names & synonyms
Sandosaponin A135272-91-2Soyasaponin Bd5-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]oxane-2-carboxylic acidDTXSID60928938Soyasapogenol E base + O-HexA-Hex-HexD8499223-hydroxy-22-oxoolean-12-en-3-yl hexopyranosyl-(1->2)hexopyranosyl-(1->2)hexopyranosiduronic acidSoyosaponin Bdβ-D-Glucopyranosiduronic acid, (3β,4β)-23-hydroxy-22-oxoolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-
Database identifiers
- CAS
135272-91-2- PubChem CID
- 178247
- DTXSID
DTXSID60928938
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 312 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 10
- Heavy atoms
- 67
- Formal charge
- 0
- Complexity
- 1,880
Physicochemical properties
- Boiling point
- 1055.5 · 1055.5±65.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 2.76 · 2.76±0.70(Predicted)
Chemistry & industry
Applications
UsesSoyasaponin Bd can be used to treat cancer and neurodegenerative diseases.
Suppliers37 total
成都曼思特生物科技有限公司18010516991 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
桂林莱科生物科技有限公司18978670903 18107731009 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
上海语纯生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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