GD128418

Name:

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

Formula:

C50H83O22N

Smiles:

CC1CCC2(CC3OC4C5CCC6CC(OC7OC(CO)C(OC8C(CO)OC(O)C(OOC9OC(CO)C(O)C(O)C9O)C8OC8CC(O)C(O)C(O)O8)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)NC1

Aglycone:

CC1CCC2(CC3OC4C5CCC6CC(O)CCC6(C)C5CCC4(C)C3C2C)NC1

Sugarmoiety:

OCC1OC(OOC2C(O)OC(CO)C(OC3C(CO)OC(O)C(O)C3O)C2OC2CC(O)C(O)C(O)O2)C(O)C(O)C1O

Other Identifiers

• CNP0018848

AD52015

Formula: C27H45O2N

Smiles:

CC1CCC2(CC3OC4C5CCC6CC(O)CCC6(C)C5CCC4(C)C3C2C)NC1

HBA:	3	RingCount:	6
HBD:	2	FractionCSP3:	1.0
AlogP:	5.16	Num_rotatable_bonds:	0
MolWt:	415.66	Num_heavy_atoms:	30
TPSA:	41.49	NumAromaticRings:	0