GD149550

Name:

1-[16-({5-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-({5-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-4-hydroxyoxan-2-yl}oxy)-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icos-1(20)-en-6-yl]-4-methylpent-4-en-2-yl acetate

Formula:

C68H108O33

Smiles:

C=C(C)CC(CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(OC6OCC(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(OC)C8O)C7O)C(O)C6OC6OC(CO)C(OC7OCC(O)C(OC8OC(CO)C(O)C(OC)C8O)C7O)C(O)C6O)CCC45C)C2(C)CCC13)OC(C)=O

Aglycone:

C=C(C)CC(CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13)OC(C)=O

Sugarmoiety:

COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(CO)OC(OC4C(O)OCC(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(OC)C6O)C5O)C4O)C(O)C3O)C2O)C1O

Other Identifiers

• CNP0045659

AD04151

Formula: C32H48O5

Smiles:

C=C(C)CC(CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13)OC(C)=O

HBA:	5	RingCount:	5
HBD:	1	FractionCSP3:	0.81
AlogP:	6.54	Num_rotatable_bonds:	5
MolWt:	512.73	Num_heavy_atoms:	37
TPSA:	72.83	NumAromaticRings:	0