GD121252

Name:

2-{[2-({11,16-dihydroxy-6-methoxy-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-18-en-14-yl}oxy)-4,5-dihydroxyoxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:

C45H72O19

Smiles:

C=C(CCC1(OC)OC2CC3C4CC=C5CC(O)CC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4C(O)CC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O

Aglycone:

C=C(CO)CCC1(OC)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4C(O)CC3(C)C2C1C

Sugarmoiety:

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0202698

AD48789

Formula: C28H44O6

Smiles:

C=C(CO)CCC1(OC)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4C(O)CC3(C)C2C1C

HBA:	6	RingCount:	5
HBD:	4	FractionCSP3:	0.86
AlogP:	3.18	Num_rotatable_bonds:	5
MolWt:	476.65	Num_heavy_atoms:	34
TPSA:	99.38	NumAromaticRings:	0