GD133354

Name:

6-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15',19'-dioloxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl)oxy]-4,5-dihydroxyoxan-3-yl 1-methyl 3-hydroxy-3-methylpentanedioate

Formula:

C57H92O28

Smiles:

COC(=O)CC(C)(O)CC(=O)OC1COC(OC2C(O)C(CO)OC(OC3C(CO)OC(OC4CC5C(O)CC6C(CCC7(C)C6CC6OC8(CCC(C)CO8)C(C)C67)C5(C)CC4O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Aglycone:

CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(O)C(O)CC5(C)C4CCC3(C)C1C2C.COC(=O)CC(C)(O)CC(=O)O

Sugarmoiety:

OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0246818

AD01854

Formula: C7H12O5

Smiles:

COC(=O)CC(C)(O)CC(=O)O

HBA:	5	RingCount:	0
HBD:	2	FractionCSP3:	0.71
AlogP:	-0.22	Num_rotatable_bonds:	4
MolWt:	176.17	Num_heavy_atoms:	12
TPSA:	83.83	NumAromaticRings:	0

AD11487

Formula: C27H44O5

Smiles:

CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(O)C(O)CC5(C)C4CCC3(C)C1C2C

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	1.0
AlogP:	3.74	Num_rotatable_bonds:	0
MolWt:	448.64	Num_heavy_atoms:	32
TPSA:	79.15	NumAromaticRings:	0