GD158091

Name:

(6-{[5,10-dihydroxy-6-(3-hydroxy-4-methylpent-4-en-1-yl)-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icos-11-en-16-yl]oxy}-5-({5-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,4-dihydroxy-6-methyloxan-2-yl}oxy)-4-hydroxyoxan-3-yl)oxidanesulfonic acid

Formula:

C54H86O27S

Smiles:

C=C(C)C(O)CCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(OC4OCC(OS(=O)(=O)O)C(O)C4OC4OC(C)C(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(OC)C7O)C6O)C(O)C4O)C5(C)C)C2(C)CCC13O

Aglycone:

C=C(C)C(O)CCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13O.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

• CNP0054198

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

AD62429

Formula: C30H46O6

Smiles:

C=C(C)C(O)CCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13O

HBA:	6	RingCount:	5
HBD:	4	FractionCSP3:	0.83
AlogP:	4.05	Num_rotatable_bonds:	4
MolWt:	502.69	Num_heavy_atoms:	36
TPSA:	107.22	NumAromaticRings:	0