GD156125

Name:

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

Formula:

C48H80O19

Smiles:

CC(C)=CCC1OC2(O)C(C3CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C2O)C1(C)O

Aglycone:

CC(C)=CCC1OC2(O)C(C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C2O)C1(C)O

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0356065

AD56059

Formula: C30H50O5

Smiles:

CC(C)=CCC1OC2(O)C(C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C2O)C1(C)O

HBA:	5	RingCount:	5
HBD:	4	FractionCSP3:	0.93
AlogP:	4.81	Num_rotatable_bonds:	2
MolWt:	490.73	Num_heavy_atoms:	35
TPSA:	90.15	NumAromaticRings:	0