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[C@@]1([H])O[C@@]([H])(O[C@@]2([H])CC[C@@]3(C)[C@]([H])(CC[C@@]4([H])[C@]5([H])C[C@]6([H])O[C@]7(CC[C@]([H])(C)CO7)[C@@]([H])(C)[C@]6([H])[C@@]5(C)CC[C@]34[H])C2)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]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
Miscellaneous terpenoids
Sub-class
Saponins

Spectra

No spectra information available

Food Sources

NameGroup
AsparagusVegetables, Other vegetables PublicationsShow

Metabolism

No metabolism information available

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