GD143196

Name:

Senburiside Iii

Formula:

C47H52O23

Smiles:

COc1cc(C=CC(=O)OC2C(OC3OC=C(C(=O)O)C4CC(OC(=O)c5cccc(OC(=O)c6cccc(OC7OC(CO)C(O)C(O)C7O)c6)c5)C(C)C34)OC(CO)C(O)C2O)cc(OC)c1O

Aglycone:

CC1C(OC(=O)c2cccc(OC(=O)c3cccc(O)c3)c2)CC2C(C(=O)O)=COC(O)C21.COc1cc(C=CC(=O)O)cc(OC)c1O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0405482

AD03983

Formula: C11H12O5

Smiles:

COc1cc(C=CC(=O)O)cc(OC)c1O

HBA:	5	RingCount:	1
HBD:	2	FractionCSP3:	0.18
AlogP:	1.51	Num_rotatable_bonds:	4
MolWt:	224.21	Num_heavy_atoms:	16
TPSA:	75.99	NumAromaticRings:	1

AD53365

Formula: C24H22O9

Smiles:

CC1C(OC(=O)c2cccc(OC(=O)c3cccc(O)c3)c2)CC2C(C(=O)O)=COC(O)C21

HBA:	9	RingCount:	4
HBD:	3	FractionCSP3:	0.29
AlogP:	2.73	Num_rotatable_bonds:	5
MolWt:	454.43	Num_heavy_atoms:	33
TPSA:	139.59	NumAromaticRings:	2