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Saikosaponin G

CAT: 0013-GTR19183153Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183153Size:10 mg
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Description
Saikosaponin G is a bioactive triterpenoid saponin derived from medicinal plants. It is utilized in pharmacological research, with in vitro studies investigating its anti-inflammatory and antiviral properties, and in vivo models exploring its potential hepatoprotective effects.
CAS Number
99365-19-2
Smiles
[H][C@@]1 (O[C@H]2CC[C@]3 (C) C4=CC=C5[C@]6 ([H]) CC (C) (C) CC[C@]6 (CO) [C@H] (O) C[C@@]5 (C) [C@]4 (C) CC[C@@]3 ([H]) [C@]2 (C) CO) O[C@H] (C) [C@H] (O) [C@H] (O[C@]2 ([H]) O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]2O) [C@H]1O
Molecular Formula
C42H68O13
Molecular Weight
780.993
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Saikosaponin G
CAS Number99365-19-2
PubChem CID101826550
IUPAC Name(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aS,6bR,8S,8aS,12aS,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a-dodecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC42H68O13
Molecular Weight781.0
XLogP2.8
Topological Polar Surface Area219
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count55
Formal Charge0
Complexity1500
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(C3=CC=C5[C@]4(C[C@@H]([C@@]6([C@H]5CC(CC6)(C)C)CO)O)C)C)C)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O
InChI
InChI=1S/C42H68O13/c1-21-29(47)34(55-35-32(50)31(49)30(48)24(18-43)53-35)33(51)36(52-21)54-28-11-12-38(4)25(39(28,5)19-44)10-13-40(6)26(38)9-8-22-23-16-37(2,3)14-15-42(23,20-45)27(46)17-41(22,40)7/h8-9,21,23-25,27-36,43-51H,10-20H2,1-7H3/t21-,23+,24-,25-,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,38+,39+,40-,41-,42-/m1/s1
InChIKey
UFEGAVYKHITZAC-RUCQNWDKSA-N
Chemical Structure
2D Structure
2D structure of Saikosaponin G
CAS: 99365-19-2
CID: 101826550
Formula: C42H68O13
MW: 781.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight781.0
XLogP32.8
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass780.46599222
Monoisotopic Mass780.46599222
Topological Polar Surface Area219 Ų
Heavy Atom Count55
Formal Charge0
Complexity1500
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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