GD144220

Name:

None

Formula:

C41H64O16S

Smiles:

CC1OC(OC2C(OC3CCC4(C)C5CCC67C(=O)OC(CC6(C)C5=CCC4C3(C)C)C7C3(C)CCC(C(C)(C)O)O3)OCC(OS(=O)(=O)O)C2O)C(O)C(O)C1O

Aglycone:

CC(C)(O)C1CCC(C)(C2C3CC4(C)C5=CCC6C(C)(C)C(O)CCC6(C)C5CCC24C(=O)O3)O1.O=S(=O)(O)O

Sugarmoiety:

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

Other Identifiers

• CNP0465702

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

AD57967

Formula: C30H46O5

Smiles:

CC(C)(O)C1CCC(C)(C2C3CC4(C)C5=CCC6C(C)(C)C(O)CCC6(C)C5CCC24C(=O)O3)O1

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.9
AlogP:	5.18	Num_rotatable_bonds:	2
MolWt:	486.69	Num_heavy_atoms:	35
TPSA:	75.99	NumAromaticRings:	0