GD153661

Name:

2-({2-[(2-{[6,16-dihydroxy-7,9,13-trimethyl-6-(3-methylbut-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]-3,5-dihydroxy-6-methyloxan-4-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C44H70O17

Smiles:

C=C(C)CCC1(O)OC2CC3C4CC=C5CC(O)CC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C5(C)C4CCC3(C)C2C1C

Aglycone:

C=C(C)CCC1(O)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C

Sugarmoiety:

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

• CNP0359308

AD61085

Formula: C27H42O4

Smiles:

C=C(C)CCC1(O)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C

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