Identification

PhytoHub ID
PHUB000011
Name
Asparagoside A
Synonyms
  • (3beta,5beta,25S)-Spirostan-3-yl beta-D-glucopyranoside
  • Sarsasaponin monoglucoside
CAS Number
Not Available
Average Mass
578.787
Monoisotopic Mass
578.381868699
Chemical Formula
C33H54O8
IUPAC Name
asparagoside A
InChI Key
ZNEIIZNXGCIAAL-TXUJEBAWSA-N
InChI Identifier
InChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3/t17-,18-,19+,20-,21+,22-,23-,24-,25+,26-,27+,28-,29+,30+,31-,32-,33+/m0/s1
SMILES
[H]OC[[email protected]@]1([H])O[[email protected]@]([H])(O[[email protected]@]2([H])CC[[email protected]@]3(C)[[email protected]]([H])(CC[[email protected]@]4([H])[[email protected]]5([H])C[[email protected]]6([H])O[[email protected]]7(CC[[email protected]]([H])(C)CO7)[[email protected]@]([H])(C)[[email protected]]6([H])[[email protected]@]5(C)CC[[email protected]]34[H])C2)[[email protected]]([H])(O[H])[[email protected]@]([H])(O[H])[[email protected]]1([H])O[H]
Structure

Calculated Properties

Solubility (ALOGPS)
5.50e-03 g/l
LogS (ALOGPS)
-5.02
LogP (ALOGPS)
2.79
Hydrogen Acceptors
8
Hydrogen Donors
4
Rotatable Bond Count
3
Polar Surface Area
117.84000000000002
Refractivity
151.8292
Polarizability
66.4168728133998
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.981083541525649
pKa (strongest acidic)
12.210576079649135
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Taxonomy

Family
Terpenoids
Class
Triterpenoids
Sub-class
Saponins

Spectra

No spectra information available

Food Sources

NameGroup
AsparagusVegetables, Other vegetables PublicationsShow

Metabolism

No metabolism information available

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