TPCN06193
Name | Betulinic acid 3-O-??-D-xylopyranosyl-(1??3)-??-L-rhamnopyranosyl-(1 ?? 2)-??-L-arabinopyranoside |
Molecular Formula | C46H74O15 |
Molecular Weight | 867.08 |
CAS Registry Number | 2207553-90-8 |
SMILES | C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(OC7OCC(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C12 |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Sapindaceae | Sapindus saponaria | Fruits | 0.000300% | Phytochemistry . 2018 Mar;147:1-8 | 10.1016/j.phytochem.2017.12.004 |
Properties
HBA | 15 | HBD | 8 |
HeavyAtoms | 61 | AlogP | 2.87 |
TPSA | 234.29 | RotatableBonds | 8 |
FractionCSP3 | 0.93 | Rings | 8 |
AromaticRings | 0 | AliphaticRings | 8 |