Identification

PhytoHub ID
PHUB002069
Name
Rebaudioside D
Systematic Name
Not Available
Synonyms
  • (-)-Rebaudioside D
  • Reb D
  • Reb-D
  • Rebaudioside D, (-)-
  • Rebaudioside-D
CAS Number
63279-13-0
Average Mass
1129.162
Monoisotopic Mass
1128.483611936
Chemical Formula
C50H80O28
IUPAC Name
4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 13-{[5-hydroxy-6-(hydroxymethyl)-3,4-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylate
InChI Key
RPYRMTHVSUWHSV-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C50H80O28/c1-18-11-49-9-5-24-47(2,7-4-8-48(24,3)46(68)77-44-39(34(64)29(59)22(15-54)72-44)75-42-36(66)32(62)27(57)20(13-52)70-42)25(49)6-10-50(18,17-49)78-45-40(76-43-37(67)33(63)28(58)21(14-53)71-43)38(30(60)23(16-55)73-45)74-41-35(65)31(61)26(56)19(12-51)69-41/h19-45,51-67H,1,4-17H2,2-3H3
SMILES
CC12CCCC(C)(C1CCC13CC(=C)C(C1)(CCC23)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
Structure

Calculated Properties

Solubility (ALOGPS)
2.30e+01 g/l
LogS (ALOGPS)
-1.69
LogP (ALOGPS)
-1.89
Hydrogen Acceptors
27
Hydrogen Donors
17
Rotatable Bond Count
16
Polar Surface Area
453.28000000000014
Refractivity
250.97610000000012
Polarizability
113.41551895841187
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.6555430198915224
pKa (strongest acidic)
11.750581418900856
Number of Rings
9
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
Yes

Taxonomy as Food Phytochemical

Family
Terpenoids
Class
Diterpenoids
Sub-class
Not Available

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
Stevia (Stevia rebaudiana)Vegetables, Leaf vegetables PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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