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 |