TPCN04554

Name Segetoside H
Molecular Formula C68H104O33
Molecular Weight 1449.55
CAS Registry Number 318959-56-7
SMILES CC(=O)OCC1OC(OC2C(OC(C)=O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C=O)C6CCC5(C)C3(C)CC4)C2OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Vaccaria hispanica Seeds 0.000280% J Asian Nat Prod Res 10(1-2): 177-184. 10.1080/10286020701394381
Caryophyllaceae Vaccaria segetalis Seeds 0.000080% J Asian Nat Prod Res. 2000;2(3):187-93. 10.1080/10286020008039910.
Properties
HBA 33 HBD 14
HeavyAtoms 101 AlogP -2.64
TPSA 497.79 RotatableBonds 18
FractionCSP3 0.90 Rings 11
AromaticRings 0 AliphaticRings 11