TPCN06301

Name 15??,16??-Di-O-acetyl-21??-O-angeloyl-23,28-dihydroxy-22??-O-(3- methylbutanoyl)olean-12-ene 3??-O-??-L-rhamnopyranosyl-(1??3)-??-L-arabinopyranosyl-(1??3)-??-D-glucuronopyranoside
Molecular Formula C61H94O25
Molecular Weight 1227.40
CAS Registry Number 2276754-36-8
SMILES CC=C(C)C(=O)OC1C(OC(=O)CC(C)C)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OCC(O)C(OC7OC(C)C(O)C(O)C7O)C6O)C5O)C(C)(CO)C4CCC3(C)C1(C)C(OC(C)=O)C2OC(C)=O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Theaceae Camellia japonica Roots 0.000051% J Nat Prod . 2018 Nov 26;81(11):2399-2409 10.1021/acs.jnatprod.8b00374
Properties
HBA 25 HBD 10
HeavyAtoms 86 AlogP 1.48
TPSA 379.95 RotatableBonds 16
FractionCSP3 0.85 Rings 8
AromaticRings 0 AliphaticRings 8