GD124290

Name:

None

Formula:

C38H66O17S

Smiles:

CC(C)C(CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(OC4OCC(O)C(O)C4O)CC3C(O)CC12O)OC1OC(COS(=O)(=O)O)C(O)C(O)C1O

Aglycone:

CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O.COS(=O)(=O)O

Sugarmoiety:

OC1COC(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0446783

AD00053

Formula: CH4O4S

Smiles:

COS(=O)(=O)O

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	-0.56	Num_rotatable_bonds:	1
MolWt:	112.11	Num_heavy_atoms:	6
TPSA:	63.6	NumAromaticRings:	0

AD04465

Formula: C27H48O5

Smiles:

CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O

HBA:	5	RingCount:	4
HBD:	5	FractionCSP3:	1.0
AlogP:	3.5	Num_rotatable_bonds:	5
MolWt:	452.68	Num_heavy_atoms:	32
TPSA:	101.15	NumAromaticRings:	0