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 |