GD149633

Name:

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

Formula:

C51H85O20N

Smiles:

CC1CCC2(NC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7CC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C

Aglycone:

CC1CCC2(NC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C.OCC1CC(O)C(O)C(O)C1O

Sugarmoiety:

OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

• CNP0421549

AD07534

Formula: C7H14O5

Smiles:

OCC1CC(O)C(O)C(O)C1O

HBA:	5	RingCount:	1
HBD:	5	FractionCSP3:	1.0
AlogP:	-2.56	Num_rotatable_bonds:	1
MolWt:	178.18	Num_heavy_atoms:	12
TPSA:	101.15	NumAromaticRings:	0

AD08743

Formula: C27H45O2N

Smiles:

CC1CCC2(NC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	3	RingCount:	6
HBD:	2	FractionCSP3:	1.0
AlogP:	5.37	Num_rotatable_bonds:	0
MolWt:	415.66	Num_heavy_atoms:	30
TPSA:	41.49	NumAromaticRings:	0