GD136738

Name:

None

Formula:

C39H68O16S

Smiles:

CC(C)C(CCOC1OC(CO)C(OS(=O)(=O)O)C1OC1OCC(O)C(O)C1O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O

Aglycone:

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

Sugarmoiety:

OCC1OC(O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

• CNP0458652

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

AD55272

Formula: C29H52O5

Smiles:

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

HBA:	5	RingCount:	4
HBD:	5	FractionCSP3:	1.0
AlogP:	4.13	Num_rotatable_bonds:	7
MolWt:	480.73	Num_heavy_atoms:	34
TPSA:	101.15	NumAromaticRings:	0