GD122774

Name:

2-{[4,5-dihydroxy-2-({10-hydroxy-7,9,13-trimethyl-6-[3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-6-en-16-yl}oxy)-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C45H72O19

Smiles:

C=C(CCC1=C(C)C2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CC(O)C32C)O1)COC1OC(CO)C(O)C(O)C1O

Aglycone:

C=C(CO)CCC1=C(C)C2C(CC3C4CCC5CC(O)CCC5(C)C4CC(O)C32C)O1

Sugarmoiety:

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

Other Identifiers

• CNP0385252

AD49510

Formula: C27H42O4

Smiles:

C=C(CO)CCC1=C(C)C2C(CC3C4CCC5CC(O)CCC5(C)C4CC(O)C32C)O1

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.85
AlogP:	4.59	Num_rotatable_bonds:	4
MolWt:	430.63	Num_heavy_atoms:	31
TPSA:	69.92	NumAromaticRings:	0