TPCN04482

Name 24-hydroxytormentic acid ester glucoside;2??,3??,19??,24-tetrahydroxyurs-12-en-28-oic acid-28-O-??-D-glucopyranosyl ester;4-epi-niga-ichigoside F1
Molecular Formula C36H58O11
Molecular Weight 666.85
CAS Registry Number 105706-14-7
SMILES CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Cerasus serrulata Leaves 0.001894% Chem Pharm Bull (Tokyo) . 2004 Jan;52(1):157-9 10.1248/cpb.52.157
Rosaceae Rubus ellipticus Roots 0.000467% J Nat Prod 72(10): 1755-1760. 10.1021/np900237a
Boraginaceae Anchusa italica Whole plants 0.000121% Nat Prod Res 31, 959-965 (2017) 10.1080/14786419.2016.1258557
Properties
HBA 11 HBD 8
HeavyAtoms 47 AlogP 1.41
TPSA 197.37 RotatableBonds 4
FractionCSP3 0.92 Rings 6
AromaticRings 0 AliphaticRings 6