GD140306

Name:

2-(4-{16-[(5-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-15-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-6-en-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C50H82O23

Smiles:

CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C12

Aglycone:

CC1=C(CCC(C)CO)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C12

Sugarmoiety:

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

Other Identifiers

• CNP0154867

AD13878

Formula: C27H44O4

Smiles:

CC1=C(CCC(C)CO)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C12

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