GD120628

Name:

2-[(2-{[6-(3,3-dimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-yl]oxy}-4-hydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C57H96O27

Smiles:

CC1OC(OCC2OC(OC3CCC4(C)C(CCC5C4CCC4(C)C5CC5OC(O)(CCC(C)(C)COC6OC(CO)C(O)C(O)C6O)C(C)C54)C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1C2C(CC3C4CCC5CC(O)CCC5(C)C4CCC32C)OC1(O)CCC(C)(C)CO

Sugarmoiety:

CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0252820

AD48483

Formula: C28H48O4

Smiles:

CC1C2C(CC3C4CCC5CC(O)CCC5(C)C4CCC32C)OC1(O)CCC(C)(C)CO

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	1.0
AlogP:	5.14	Num_rotatable_bonds:	4
MolWt:	448.69	Num_heavy_atoms:	32
TPSA:	69.92	NumAromaticRings:	0