GD108738

Name:

None

Formula:

C34H44O14

Smiles:

COC(=O)[C@H]1O[C@H](OCC(=O)[C@]2(O)CC[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]32C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO

Sugarmoiety:

COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• ZINC000257349746

AD05969

Formula: C21H28O5

Smiles:

CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO

HBA:	5	RingCount:	4
HBD:	3	FractionCSP3:	0.71
AlogP:	1.56	Num_rotatable_bonds:	2
MolWt:	360.45	Num_heavy_atoms:	26
TPSA:	94.83	NumAromaticRings:	0