GD149339

Name:

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

Formula:

C46H76O17

Smiles:

CC1=C(CCC(C)COC2OC(CO)C(O)C(C)C2O)CC2OC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C12

Aglycone:

CC1=C(CCC(C)CO)CC2OC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C12

Sugarmoiety:

CC1C(O)C(O)OC(CO)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0242245

AD59729

Formula: C27H44O3

Smiles:

CC1=C(CCC(C)CO)CC2OC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C12

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.93
AlogP:	5.49	Num_rotatable_bonds:	4
MolWt:	416.65	Num_heavy_atoms:	30
TPSA:	49.69	NumAromaticRings:	0