GD152062

Name:

6-{[5-({5-[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3-hydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-2-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy}oxan-3-yl]oxy}-2-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-3,4,5-triol

Formula:

C66H107O32N

Smiles:

CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OCC(OC7OCC(OC8OC(C)C(O)C(O)C8O)(OC8OCC(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)CC7O)C(O)C6OC6OC(C)C(O)(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C

Aglycone:

CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

CC1OC(OC2(OC3OCC(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)COC(OC3COC(O)C(OC4OC(C)C(O)(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C3O)C(O)C2)C(O)C(O)C1O

Other Identifiers

• CNP0350380

AD07171

Formula: C27H43O2N

Smiles:

CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	3	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	5.29	Num_rotatable_bonds:	0
MolWt:	413.65	Num_heavy_atoms:	30
TPSA:	41.49	NumAromaticRings:	0