Identification

PhytoHub ID
PHUB000168
Name
Ginsenoside Rf
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
801.024
Monoisotopic Mass
800.492206998
Chemical Formula
C42H72O14
IUPAC Name
ginsenoside rf
InChI Key
UZIOUZHBUYLDHW-XUBRWZAZSA-N
InChI Identifier
InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,52)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-37-34(32(50)30(48)25(19-44)55-37)56-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1
SMILES
CC(C)=CCC[[email protected]](C)(O)[[email protected]]1CC[[email protected]]2(C)[[email protected]@H]1[[email protected]](O)C[[email protected]@H]1[[email protected]@]3(C)CC[[email protected]](O)C(C)(C)[[email protected]@H]3[[email protected]](C[[email protected]@]21C)O[[email protected]@H]1O[[email protected]](CO)[[email protected]@H](O)[[email protected]](O)[[email protected]]1O[[email protected]@H]1O[[email protected]](CO)[[email protected]@H](O)[[email protected]](O)[[email protected]]1O
Structure

Calculated Properties

Solubility (ALOGPS)
4.20e-01 g/l
LogS (ALOGPS)
-3.28
LogP (ALOGPS)
1.13
Hydrogen Acceptors
14
Hydrogen Donors
10
Rotatable Bond Count
10
Polar Surface Area
239.21999999999994
Refractivity
203.65500000000003
Polarizability
89.17159378715304
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.9275261399973713
pKa (strongest acidic)
12.088800853764246
Number of Rings
6
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
Yes

Taxonomy

Family
Terpenoids
Class
Triterpenoids
Sub-class
Saponins

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Prenol lipids
Super-class
Lipids and lipid-like molecules
Sub-class
Terpene glycosides
Direct Parent Name
Triterpene saponins
Alternative Parent Names
["12-hydroxysteroids", "14-alpha-methylsteroids", "3-beta-hydroxysteroids", "Acetals", "Cyclic alcohols and derivatives", "Disaccharides", "Hydrocarbon derivatives", "O-glycosyl compounds", "Oxacyclic compounds", "Oxanes", "Polyols", "Primary alcohols", "Secondary alcohols", "Tertiary alcohols", "Triterpenoids"]
External Descriptor Annotations
["12beta-hydroxy steroid", "20-hydroxy steroid", "3beta-hydroxy steroid", "Dammarenes", "beta-D-glucoside", "disaccharide derivative", "ginsenoside", "tetracyclic triterpenoid"]
Substituent Names
["12-hydroxysteroid", "14-alpha-methylsteroid", "20-hydroxysteroid", "3-beta-hydroxysteroid", "3-hydroxysteroid", "Acetal", "Alcohol", "Aliphatic heteropolycyclic compound", "Cyclic alcohol", "Disaccharide", "Glycosyl compound", "Hydrocarbon derivative", "Hydroxysteroid", "O-glycosyl compound", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Oxane", "Polyol", "Primary alcohol", "Secondary alcohol", "Steroid", "Tertiary alcohol", "Triterpene saponin", "Triterpenoid"]

Spectra

No spectra information available

Food Sources

NameGroup
GinsengHerbs and Spices PublicationsShow

Metabolism

No metabolism information available

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