TPCN00761
Name | Macranthoidin A;3-O-??-D-Glucopyranosyl-(1??3)-??-L-rhamnopyranosyl-(1??2)-??-Larabinopyranosyl-23-hydroxyolean-18-en-28-oicacid glucopyranosyl-(1??6)-??-D-glucopyranosyl ester |
Molecular Formula | C59H96O27 |
Molecular Weight | 1237.39 |
CAS Registry Number | 140360-29-8 |
SMILES | CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)CO)OCC(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Caprifoliaceae | Dipsacus asper | Roots | 0.002214% | J Asian Nat Prod Res 13(9): 851-860. | 10.1080/10286020.2011.598858 |
Caprifoliaceae | Lonicera macranthoides | Buds | 0.000575% | Carbohydr Res 370: 76-81. | 10.1016/j.carres.2013.01.019 |
Caprifoliaceae | Dipsacus asper | Roots | 0.000020% | Fitoterapia, 2019, 135, 99-106. | 10.1016/j.fitote.2019.04.015 |
Properties
HBA | 27 | HBD | 16 |
HeavyAtoms | 86 | AlogP | -3.57 |
TPSA | 433.05 | RotatableBonds | 14 |
FractionCSP3 | 0.95 | Rings | 10 |
AromaticRings | 0 | AliphaticRings | 10 |