GD145364

Name:

None

Formula:

C53H86O25S

Smiles:

COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7=CC(O)C89C(=O)OC(C)(CCCC(C)C)C8CCC9C7CCC6C5(C)C)OCC(OS(=O)(=O)O)C4O)C(O)C3O)C2O)C1O

Aglycone:

CC(C)CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2CCC13.O=S(=O)(O)O

Sugarmoiety:

COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1O

Other Identifiers

• CNP0466770

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

AD46498

Formula: C29H46O4

Smiles:

CC(C)CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2CCC13

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.9
AlogP:	5.66	Num_rotatable_bonds:	4
MolWt:	458.68	Num_heavy_atoms:	33
TPSA:	66.76	NumAromaticRings:	0