TPCN03804
Name | Latifoloside E;Urs-12-en-28-oic acid, 3-[(O-6-deoxy-??-L-mannopyranosyl-(1??2)-O-[??-D-glucopyranosyl-(1??3)]-??-L-arabinopyranosyl)oxy]-19-hydroxy-, ??-D-glucopyranosyl ester, (3??,20??)- (9CI, ACI) |
Molecular Formula | C53H86O22 |
Molecular Weight | 1075.25 |
CAS Registry Number | 194661-51-3 |
SMILES | CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6C(C(=O)OC7OC(CO)C(O)C(O)C7O)(CCC(C)C6(C)O)CCC45C)C3(C)C)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Rubiaceae | Mussaenda pubescens | Aerial parts | 0.000625% | Phytochemistry 45, 1073-1078 (1997). | 10.1016/s0031-9422(97)00089-7 |
Rubiaceae | Mussaenda pubescens | Aerial parts | 0.000375% | Phytochemistry 45, 1073-1078 (1997). | 10.1016/s0031-9422(97)00089-7 |
Aquifoliaceae | Ilex latifolia | Barks | 0.000340% | Chem Pharm Bull (Tokyo) . 2001 Feb;49(2):239-41 | 10.1248/cpb.49.239 |
Properties
HBA | 22 | HBD | 13 |
HeavyAtoms | 75 | AlogP | -1.40 |
TPSA | 353.90 | RotatableBonds | 10 |
FractionCSP3 | 0.94 | Rings | 9 |
AromaticRings | 0 | AliphaticRings | 9 |