GD131288

Name:

None

Formula:

C41H68O14

Smiles:

COCC(O)C1OC(OC2C3=C4CC(OC5OC(CO)C(O)C(OC)C5O)C(C(C)CCC=C(C)C)C4(C)CCC3C3(C)CCC(O)CC3C2O)C(O)C1O

Aglycone:

CC(C)=CCCC(C)C1C(O)CC2=C3C(O)C(O)C4CC(O)CCC4(C)C3CCC21C.COCCO

Sugarmoiety:

COC1C(O)C(O)OC(CO)C1O.OC1OC(O)C(O)C1O

Other Identifiers

• CNP0453532

AD00384

Formula: C3H8O2

Smiles:

COCCO

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	-0.37	Num_rotatable_bonds:	2
MolWt:	76.09	Num_heavy_atoms:	5
TPSA:	29.46	NumAromaticRings:	0

AD53194

Formula: C27H44O4

Smiles:

CC(C)=CCCC(C)C1C(O)CC2=C3C(O)C(O)C4CC(O)CCC4(C)C3CCC21C

HBA:	4	RingCount:	4
HBD:	4	FractionCSP3:	0.85
AlogP:	4.37	Num_rotatable_bonds:	4
MolWt:	432.65	Num_heavy_atoms:	31
TPSA:	80.92	NumAromaticRings:	0