GD151018

Name:

None

Formula:

C41H64O18S

Smiles:

CC1OC(OC2C(OC3CCC4(C)C5=CC(O)C67C(=O)OC(C)(C(=O)CCC(C)(C)O)C6(O)CCC7(C)C5CCC4C3(C)C)OCC(OS(=O)(=O)O)C2O)C(O)C(O)C1O

Aglycone:

CC(C)(O)CCC(=O)C1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13O.O=S(=O)(O)O

Sugarmoiety:

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

Other Identifiers

• CNP0471868

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

AD49230

Formula: C30H46O7

Smiles:

CC(C)(O)CCC(=O)C1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13O

HBA:	7	RingCount:	5
HBD:	4	FractionCSP3:	0.87
AlogP:	3.45	Num_rotatable_bonds:	4
MolWt:	518.69	Num_heavy_atoms:	37
TPSA:	124.29	NumAromaticRings:	0