GD133881

Name:

2-{[6-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3-methylbutyl)-16-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-14-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C45H72O18

Smiles:

CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC2CC3C4CC=C5CC(O)CC(OC6OC(CO)C(O)C(O)C6O)C5(C)C4CCC3(C)C12

Aglycone:

CC1=C(CCC(C)CO)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C12

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0139295

AD00174

Formula: C27H42O4

Smiles:

CC1=C(CCC(C)CO)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C12

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