GD158289

Name:

2-{[2-(16-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-10-hydroxy-1,2,13,17,17-pentamethylpentacyclo[10.8.0.0²,⁹.0³,⁷.0¹³,¹⁸]icosan-6-yl)-6-methylhept-5-en-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

Formula:

C57H96O23

Smiles:

CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2C1CC1C(O)CC3C4(C)CCC(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C12C

Aglycone:

CC(C)=CCCC(C)(O)C1CCC2C1CC1C(O)CC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C12C

Sugarmoiety:

OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0098652

AD62496

Formula: C33H56O3

Smiles:

CC(C)=CCCC(C)(O)C1CCC2C1CC1C(O)CC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C12C

HBA:	3	RingCount:	5
HBD:	3	FractionCSP3:	0.94
AlogP:	7.14	Num_rotatable_bonds:	4
MolWt:	500.81	Num_heavy_atoms:	36
TPSA:	60.69	NumAromaticRings:	0