TPCN04320

Name Dehydrosoyasaponin I
Molecular Formula C48H76O18
Molecular Weight 941.12
CAS Registry Number 117210-14-7
SMILES CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(=O)C7(C)CCC56C)C4(C)CO)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Balsaminaceae Impatiens siculifer Whole plants 0.001760% Phytochemistry 70(6): 816-821. 10.1016/j.phytochem.2009.03.022
Fabaceae Wistaria brachybotrys Knots 0.001600% J Nat Prod . May-Jun 1991;54(3):830-6 10.1021/np50075a012
Fabaceae Hedysarum polybotrys Roots 0.000060% Fitoterapia 80(2): 127-129. 10.1016/j.fitote.2008.12.001
Properties
HBA 18 HBD 10
HeavyAtoms 66 AlogP 0.91
TPSA 291.82 RotatableBonds 9
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8