TPCN01954

Name 11R,12-dihydroxy-6(7)-spirovetiven-8-one-9-O-??-D-glucopyranoside
Molecular Formula C21H34O9
Molecular Weight 430.49
CAS Registry Number 1228542-10-6
SMILES CC1=CC(=O)C(OC2OC(CO)C(O)C(O)C2O)C(C)C12CCC(C(C)(O)CO)C2
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Solanaceae Nicotiana tabacum Leaves 0.000040% J Asian Nat Prod Res 11(7): 675-680.(2009) 10.1080/10286020903002121
Properties
HBA 9 HBD 6
HeavyAtoms 30 AlogP -1.13
TPSA 156.91 RotatableBonds 5
FractionCSP3 0.86 Rings 3
AromaticRings 0 AliphaticRings 3