GD126386

Name:

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

Formula:

C51H82O23

Smiles:

CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC2CC3(O)C4CC=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C12

Aglycone:

CC1=C(CCC(C)CO)OC2CC3(O)C4CC=C5CC(O)CCC5(C)C4CCC3(C)C12

Sugarmoiety:

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

Other Identifiers

• CNP0254182

AD51136

Formula: C27H42O4

Smiles:

CC1=C(CCC(C)CO)OC2CC3(O)C4CC=C5CC(O)CCC5(C)C4CCC3(C)C12

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.85
AlogP:	4.73	Num_rotatable_bonds:	4
MolWt:	430.63	Num_heavy_atoms:	31
TPSA:	69.92	NumAromaticRings:	0