GD136380

Name:

None

Formula:

C46H74O20S

Smiles:

CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(OS(=O)(=O)O)C(O)C7O)C6OC6OC(CO)C(O)C6O)C(C)(C)C5CCC4(C)C34COC2(C4)O1

Aglycone:

CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34COC2(C4)O1.O=S(=O)(O)O

Sugarmoiety:

OCC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0458332

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

AD04367

Formula: C30H48O4

Smiles:

CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34COC2(C4)O1

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	5.86	Num_rotatable_bonds:	1
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	58.92	NumAromaticRings:	0