GD131846

Name:

None

Formula:

C42H68O16S

Smiles:

CC(C)CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(OCC4OCC(OS(=O)(=O)O)C(O)C4OC4OC(C)C(O)C(O)C4O)C5(C)C)C2(C)CCC13O

Aglycone:

COC1CCC2(C)C3=CC(O)C45C(=O)OC(C)(CCCC(C)C)C4(O)CCC5(C)C3CCC2C1(C)C.O=S(=O)(O)O

Sugarmoiety:

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0454078

AD00034

Formula: H2O4S

Smiles:

O=S(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.65	Num_rotatable_bonds:	0
MolWt:	98.08	Num_heavy_atoms:	5
TPSA:	74.6	NumAromaticRings:	0

AD53397

Formula: C31H50O5

Smiles:

COC1CCC2(C)C3=CC(O)C45C(=O)OC(C)(CCCC(C)C)C4(O)CCC5(C)C3CCC2C1(C)C

HBA:	5	RingCount:	5
HBD:	2	FractionCSP3:	0.9
AlogP:	5.81	Num_rotatable_bonds:	5
MolWt:	502.74	Num_heavy_atoms:	36
TPSA:	75.99	NumAromaticRings:	0