TPCN00909
Name | 3??, 7??-Dibydroxy-5??,6??-epoxyeudesm-4(15)-ene-11-(O-??-fucopyranoside-2', 4'-diangelate-3'-isobutyrate) |
Molecular Formula | C35H52O11 |
Molecular Weight | 648.79 |
CAS Registry Number | 151625-91-1 |
SMILES | C=C1C(O)CCC2(C)CCC(O)(C(C)(C)OC3OC(C)C(OC(=O)C(C)=CC)C(OC(=O)C(C)C)C3OC(=O)C(C)=CC)C3OC132 |
Classify | Sesquiterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Asteraceae | Calendula arvensis | Aerial parts | 0.011250% | J Nat Prod 56, 1821-1824(1993) | 10.1021/np50100a025 |
Properties
HBA | 11 | HBD | 2 |
HeavyAtoms | 46 | AlogP | 4.23 |
TPSA | 150.35 | RotatableBonds | 9 |
FractionCSP3 | 0.74 | Rings | 4 |
AromaticRings | 0 | AliphaticRings | 4 |