GD146088

Name:

None

Formula:

C38H64O15S

Smiles:

C=C(CCC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C)C(C)COC1OCC(O)C(OS(=O)(=O)O)C1OC1OCC(O)C(O)C1O

Aglycone:

C=C(CCC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C)C(C)CO.O=S(=O)(O)O

Sugarmoiety:

OC1COC(OC2C(O)OCC(O)C2O)C(O)C1O

Other Identifiers

• CNP0467416

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

AD46947

Formula: C28H48O4

Smiles:

C=C(CCC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C)C(C)CO

HBA:	4	RingCount:	4
HBD:	4	FractionCSP3:	0.93
AlogP:	4.55	Num_rotatable_bonds:	6
MolWt:	448.69	Num_heavy_atoms:	32
TPSA:	80.92	NumAromaticRings:	0