TPCN06096

Name 3-O-{[??-D-glucopyranosyl-(1??6)]-O-??-L-rhamnopyranosyl-(1??2)-O-??-D-glucopyranosyl-(1??2)}-O-??-D-glucopyranosyl-(1??3)-O-??-D-glucopyranosyl-cycloarta-22,24-dien-27-oic acid
Molecular Formula C60H96O27
Molecular Weight 1249.40
CAS Registry Number 248912-10-9
SMILES CC(=CC=CC(C)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC45CC35CCC12C)C(=O)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Mussaenda macrophylla Aerial parts 0.000925% J Nat Prod . 1999 Oct;62(10):1379-84 10.1021/np9901579
Properties
HBA 27 HBD 16
HeavyAtoms 87 AlogP -2.84
TPSA 433.05 RotatableBonds 18
FractionCSP3 0.92 Rings 10
AromaticRings 0 AliphaticRings 10