GD124566

Name:

Pa 46101 A

Formula:

C52H70O18

Smiles:

CCC1CC23OC(=O)C(=C2O)OC(=O)C2(C)C(CCCCC3(C)C=C1C(=O)O)C(C)=CC1C(OC3OC(C)C(OC(=O)c4c(C)cccc4OC)C(OC4CC(O)C(OC)C(C)O4)C3O)C(O)CCC12

Aglycone:

CCC1CC23OC(=O)C(=C2O)OC(=O)C2(C)C(CCCCC3(C)C=C1C(=O)O)C(C)=CC1C(O)C(O)CCC12.COc1cccc(C)c1C(=O)O

Sugarmoiety:

COC1C(O)CC(OC2C(O)C(C)OC(O)C2O)OC1C

Other Identifiers

• CNP0342650

AD44814

Formula: C9H10O3

Smiles:

COc1cccc(C)c1C(=O)O

HBA:	3	RingCount:	1
HBD:	1	FractionCSP3:	0.22
AlogP:	1.7	Num_rotatable_bonds:	2
MolWt:	166.18	Num_heavy_atoms:	12
TPSA:	46.53	NumAromaticRings:	1

AD50333

Formula: C30H40O9

Smiles:

CCC1CC23OC(=O)C(=C2O)OC(=O)C2(C)C(CCCCC3(C)C=C1C(=O)O)C(C)=CC1C(O)C(O)CCC12

HBA:	9	RingCount:	5
HBD:	4	FractionCSP3:	0.7
AlogP:	3.95	Num_rotatable_bonds:	2
MolWt:	544.64	Num_heavy_atoms:	39
TPSA:	150.59	NumAromaticRings:	0