TPCN06310

Name 21??-O-Angeloyl-16??,23,28-trihydroxy-22??-O-(3- methylbutanoyl)olean-12-ene 3??-O-??-L-rhamnopyranosyl-(1??3)-??-L-arabinopyranosyl-(1??3)-??-D-glucuronopyranoside
Molecular Formula C57H90O22
Molecular Weight 1127.33
CAS Registry Number 2276754-33-5
SMILES CC=C(C)C(=O)OC1C(OC(=O)CC(C)C)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(OC8OC(C)C(O)C(O)C8O)C7O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Theaceae Camellia japonica Roots 0.000045% J Nat Prod . 2018 Nov 26;81(11):2399-2409 10.1021/acs.jnatprod.8b00374
Properties
HBA 22 HBD 11
HeavyAtoms 79 AlogP 1.37
TPSA 347.58 RotatableBonds 14
FractionCSP3 0.88 Rings 8
AromaticRings 0 AliphaticRings 8