GD112176

Name:

None

Formula:

C35H50O12

Smiles:

CC(=O)OC[C@@H]1O[C@H](O/C=C2/C[C@@]3(C)[C@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@@H]4CC[C@]3(C)O)CC2=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC12CC(=CO)C(=O)CC1CCC1C2CCC2(C)C1CCC2(C)O.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• ZINC000263598187

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD44757

Formula: C21H32O3

Smiles:

CC12CC(=CO)C(=O)CC1CCC1C2CCC2(C)C1CCC2(C)O

HBA:	3	RingCount:	4
HBD:	2	FractionCSP3:	0.86
AlogP:	4.4	Num_rotatable_bonds:	0
MolWt:	332.48	Num_heavy_atoms:	24
TPSA:	57.53	NumAromaticRings:	0