TPCN00078

Name 4??-hydroxyisodolichantoside
Molecular Formula C28H37N2O10+
Molecular Weight 561.61
CAS Registry Number 2149584-07-4
SMILES C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1c2[nH]c3ccccc3c2CC[N+]1(C)O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Palicourea sessilis Leaves 0.009901% J Nat Prod, 2017, 80, 3032-3037. 10.1021/acs.jnatprod.7b00681
Properties
HBA 12 HBD 6
HeavyAtoms 40 AlogP 0.64
TPSA 170.93 RotatableBonds 7
FractionCSP3 0.54 Rings 5
AromaticRings 2 AliphaticRings 3