GD136539

Name:

None

Formula:

C49H76O22S

Smiles:

C=C(C)CCCC(C)(OC(C)=O)C1C2CC3(C)C4=CCC5C(C)(C)C(OC6OCC(OC7OC(CO)C(O)C(O)C7OS(=O)(=O)O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC13C(=O)O2

Aglycone:

C=C(C)CCCC(C)(OC(C)=O)C1C2CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC13C(=O)O2.O=S(=O)(O)O

Sugarmoiety:

OCC1OC(OC2COC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0458483

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

AD51100

Formula: C32H48O5

Smiles:

C=C(C)CCCC(C)(OC(C)=O)C1C2CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC13C(=O)O2

HBA:	5	RingCount:	5
HBD:	1	FractionCSP3:	0.81
AlogP:	6.54	Num_rotatable_bonds:	6
MolWt:	512.73	Num_heavy_atoms:	37
TPSA:	72.83	NumAromaticRings:	0