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 |