GD138618

Name:

None

Formula:

C41H64O20S2

Smiles:

CC1OC(OC2C(OC3CCC4(C)C5=CC(O)C67C(=O)OC(C)(C8CCC(C)(C)O8)C6(O)CCC7(C)C5CCC4C3(C)C)OCC(OS(=O)(=O)O)C2O)C(O)C(O)C1OS(=O)(=O)O

Aglycone:

CC1(C)CCC(C2(C)OC(=O)C34C(O)C=C5C(CCC6C5(C)CCC(O)C6(C)C)C3(C)CCC24O)O1.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:

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

Other Identifiers

• CNP0460393

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

AD03787

Formula: C30H46O6

Smiles:

CC1(C)CCC(C2(C)OC(=O)C34C(O)C=C5C(CCC6C5(C)CCC(O)C6(C)C)C3(C)CCC24O)O1

HBA:	6	RingCount:	6
HBD:	3	FractionCSP3:	0.9
AlogP:	4.29	Num_rotatable_bonds:	1
MolWt:	502.69	Num_heavy_atoms:	36
TPSA:	96.22	NumAromaticRings:	0