GD155027

Name:

2-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-6-{[6-hydroxy-6-(4-hydroxy-3-methylbutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}-2-(hydroxymethyl)oxan-4-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:

C44H72O17

Smiles:

CC(CO)CCC1(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C7O)C(OC7OC(C)C(O)C(O)C7O)C6O)CCC5(C)C4CCC3(C)C2C1C

Aglycone:

CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1C

Sugarmoiety:

CC1OC(OC2C(O)C(O)OC(CO)C2OC2OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0309603

AD01953

Formula: C27H44O4

Smiles:

CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1C

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