GD130503

Name:

2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracosan-7-yl}peroxy)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C51H85O22N

Smiles:

CC1CCC2C(C)C3C(CC4C5CCC6CC(OOC7OC(CO)C(OC8OC(CO)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8OC8OC(CO)C(O)C(O)C8O)C(O)C7O)CCC6(C)C5CCC43C)N2C1

Aglycone:

CC1CCC2C(C)C3C(CC4C5CCC6CC(OO)CCC6(C)C5CCC43C)N2C1

Sugarmoiety:

OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0299972

AD52887

Formula: C27H45O2N

Smiles:

CC1CCC2C(C)C3C(CC4C5CCC6CC(OO)CCC6(C)C5CCC43C)N2C1

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	1.0
AlogP:	6.23	Num_rotatable_bonds:	1
MolWt:	415.66	Num_heavy_atoms:	30
TPSA:	32.7	NumAromaticRings:	0