precursor

Showing entry for Mulberroside A

Identification

PhytoHub ID
PHUB001549
Name
Mulberroside A
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
568.528
Monoisotopic Mass
568.17920571
Chemical Formula
C26H32O14
IUPAC Name
2-{3-hydroxy-4-[(1E)-2-(3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI Key
HPSWAEGGWLOOKT-OWOJBTEDSA-N
InChI Identifier
InChI=1S/C26H32O14/c27-9-17-19(31)21(33)23(35)25(39-17)37-14-4-3-12(16(30)8-14)2-1-11-5-13(29)7-15(6-11)38-26-24(36)22(34)20(32)18(10-28)40-26/h1-8,17-36H,9-10H2/b2-1+
SMILES
OCC1OC(OC2=CC(O)=C(\C=C\C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C=C2)C(O)C(O)C1O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.30e+00 g/l
LogS (ALOGPS)
-2.64
LogP (ALOGPS)
-0.70
Hydrogen Acceptors
14
Hydrogen Donors
10
Rotatable Bond Count
8
Polar Surface Area
239.21999999999994
Refractivity
133.72520000000003
Polarizability
55.972726669290815
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.6483953456943676
pKa (strongest acidic)
8.667469242113945
Number of Rings
4
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
Yes

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Stilbenes
Sub-class
Not Available

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Mulberroside A Oxyresveratrolin vitro (human) in vitro (rat)gut microbiotagut microbiota metaboliteNot AvailableNot AvailableNot AvailableC14H12O4244.073558866 Publications
Mulberroside A Oxyresveratrol-4-O-β-D-glucosidein vitro (human) in vitro (rat)gut microbiotagut microbiota metaboliteNot AvailableNot AvailableNot AvailableC20H22O9406.126382288 Publications
Mulberroside A Oxyresveratrol 3′-O-β-D-glucosidein vitro (human) in vitro (rat)gut microbiotagut microbiota metaboliteNot AvailableNot AvailableNot AvailableC20H22O9406.126382288 Publications
Mulberroside A Oxyresveratrol-sulfatein vitro (human) in vitro (rat)gut microbiotagut microbiota metaboliteNot AvailableNot AvailableNot AvailableC14H12O7S 324.0304 Publications
Mulberroside A Oxyresveratrol-glucuronidein vitro (human) in vitro (rat)gut microbiotagut microbiota metaboliteNot AvailableNot AvailableNot AvailableC20H20O10  420.1056 Publications
Mulberroside A Oxyresveratrol-2-O-β-D-glucuronosylin vitro (human) in vitro (rat)gut microbiotagut microbiota metaboliteNot AvailableNot AvailableNot AvailableC20H20O10420.105646844 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
Back