TPCN05940
Name | Ligulataside A |
Molecular Formula | C67H107NO31 |
Molecular Weight | 1422.57 |
CAS Registry Number | 2170323-57-4 |
SMILES | CC(=O)NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OCC(O)C(O)C5OC5OC(C)C(OC6OC(COC(C)=O)C(O)C6O)C(OC6OCC(O)C(O)C6O)C5O)C(O)CC34C)C2(C)C)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Fabaceae | Acacia ligulata | Husks | 0.011414% | J Nat Prod . 2017 Oct 27;80(10):2692-2698 | 10.1021/acs.jnatprod.7b00437 |
Properties
HBA | 32 | HBD | 16 |
HeavyAtoms | 99 | AlogP | -3.76 |
TPSA | 486.68 | RotatableBonds | 17 |
FractionCSP3 | 0.93 | Rings | 11 |
AromaticRings | 0 | AliphaticRings | 11 |