TPCN04551

Name (24R)-3??,7??,24,25,30-Pentahydroxycycloartane-30O-coumaroyl-3-O-??-D-glucopyranosyl-24-O-??-Dglucopyranosyl-(1??6)-??-D-glucopyranoside
Molecular Formula C57H88O21
Molecular Weight 1109.31
CAS Registry Number 1309772-85-7
SMILES CC(CCC(OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)C(C)(C)O)C1CCC2(C)C3C(O)CC4C(C)(COC(=O)C=Cc5ccc(O)cc5)C(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Aspleniaceae Camptosorus sibiricus Whole plants 0.000286% Nat Prod Commun 5(10): 1557-1560. 10.1177/1934578X1000501008
Properties
HBA 21 HBD 13
HeavyAtoms 78 AlogP 0.75
TPSA 344.67 RotatableBonds 17
FractionCSP3 0.84 Rings 9
AromaticRings 1 AliphaticRings 8