GD145150

Name:

16-({3-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)-1,2,7,13,17,17-hexamethyl-6-(3-methyl-2-methylidenebutyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-3,4,7-triol

Formula:

C53H88O23

Smiles:

C=C(CC1OC2(O)C(C3CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(OC7OCC(O)(CO)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C2O)C1(C)O)C(C)C

Aglycone:

C=C(CC1OC2(O)C(C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C2O)C1(C)O)C(C)C

Sugarmoiety:

OCC1OC(OC2C(OC3C(O)OCC(O)C3O)OC(CO)C(O)C2OC2OCC(O)(CO)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0196545

AD47817

Formula: C31H52O5

Smiles:

C=C(CC1OC2(O)C(C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C2O)C1(C)O)C(C)C

HBA:	5	RingCount:	5
HBD:	4	FractionCSP3:	0.94
AlogP:	5.05	Num_rotatable_bonds:	3
MolWt:	504.75	Num_heavy_atoms:	36
TPSA:	90.15	NumAromaticRings:	0