GD117894

Name:

2-({4,5-dihydroxy-6-[(4-hydroxy-6-{[5-hydroxy-6,9,13-trimethyl-5-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-4-oxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹³,¹⁸]icos-18-en-16-yl]oxy}-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-2-methyloxan-3-yl}oxy)-6-methyloxane-3,4,5-triol

Formula:

C57H94O26

Smiles:

CC(CCC1(O)OC2C(CC3(C)CCC4C(CC=C5CC(OC6OC(CO)C(OC7OC(C)C(OC8OC(C)C(O)C(O)C8O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC54C)C23)C1C)COC1OC(CO)C(O)C(O)C1O

Aglycone:

CC(CO)CCC1(O)OC2C(CC3(C)CCC4C(CC=C5CC(O)CCC54C)C23)C1C

Sugarmoiety:

CC1OC(OC2C(C)OC(OC3C(CO)OC(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0247968

AD47070

Formula: C27H44O4

Smiles:

CC(CO)CCC1(O)OC2C(CC3(C)CCC4C(CC=C5CC(O)CCC54C)C23)C1C

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.93
AlogP:	4.67	Num_rotatable_bonds:	4
MolWt:	432.65	Num_heavy_atoms:	31
TPSA:	69.92	NumAromaticRings:	0