TPCN01606

[object Object]
Name (1S,4S,6R,7R,8R,9R)-1,6,15-triacetoxy-8,9-dibenzoyloxy-4-hydroxy-??-dihydroagarofuran
Molecular Formula C35H40O12
Molecular Weight 652.69
CAS Registry Number 248927-77-7
SMILES CC(=O)OC[C@@]12[C@@H](OC(C)=O)CC[C@](C)(O)[C@]13OC(C)(C)[C@H]([C@@H](OC(=O)c1ccccc1)[C@@H]2OC(=O)c1ccccc1)[C@H]3OC(C)=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Maytenus macrocarpa Leaves 0.000269% J Nat Prod 62(11): 1576-1577.（1999） 10.1021/np990232f
Properties
HBA 12 HBD 1
HeavyAtoms 47 AlogP 3.57
TPSA 160.96 RotatableBonds 8
FractionCSP3 0.51 Rings 5
AromaticRings 2 AliphaticRings 3