TPCN05184

Name Royleanumioside
Molecular Formula C54H92O7
Molecular Weight 853.32
CAS Registry Number 1891003-53-4
SMILES C=C(C)C1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(COC(=O)CCCCCCCCCCCCCCCCC)C(O)C(O)C6O)C(C)(C)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Teucrium royleanum Whole plants 0.000110% J Asian Nat Prod Res 17, 838-842 (2015) 10.1080/10286020.2015.1006203
Properties
HBA 7 HBD 3
HeavyAtoms 61 AlogP 12.58
TPSA 105.45 RotatableBonds 21
FractionCSP3 0.91 Rings 6
AromaticRings 0 AliphaticRings 6