GD118488

Name:

2-[(4-hydroxy-6-{[6-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-15-yl]methyl}-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:

C52H86O21

Smiles:

CC(CCC1(O)OC2CC3C4CC=C5CCC(CC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O

Aglycone:

CC(CO)CCC1(O)OC2CC3C4CC=C5CCC(C)CC5(C)C4CCC3(C)C2C1C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0358203

AD47385

Formula: C28H46O3

Smiles:

CC(CO)CCC1(O)OC2CC3C4CC=C5CCC(C)CC5(C)C4CCC3(C)C2C1C

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.93
AlogP:	5.94	Num_rotatable_bonds:	4
MolWt:	430.67	Num_heavy_atoms:	31
TPSA:	49.69	NumAromaticRings:	0