TPCN03222

Name Rubusoside
Molecular Formula C32H50O13
Molecular Weight 642.74
CAS Registry Number 64849-39-4
SMILES C=C1CC23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)CCCC4(C)C2CCC1(OC1OC(CO)C(O)C(O)C1O)C3
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Brassicaceae Orychophragmus violaceus Seeds 0.000018% Nat Prod Res 33, 407-413 (2019). 10.1080/14786419.2018.1455044
Properties
HBA 13 HBD 8
HeavyAtoms 45 AlogP -0.76
TPSA 215.83 RotatableBonds 6
FractionCSP3 0.91 Rings 6
AromaticRings 0 AliphaticRings 6