GD142176

Name:

16-[(5-hydroxy-4-{[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-6-methoxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-15-one

Formula:

C62H102O32

Smiles:

COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OCC(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(=O)CC5(C)C4CCC3(C)C2C1C

Aglycone:

COC1(CCC(C)CO)OC2CC3C4CCC5CC(O)C(=O)CC5(C)C4CCC3(C)C2C1C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0187081

AD57223

Formula: C28H46O5

Smiles:

COC1(CCC(C)CO)OC2CC3C4CCC5CC(O)C(=O)CC5(C)C4CCC3(C)C2C1C

HBA:	5	RingCount:	5
HBD:	2	FractionCSP3:	0.96
AlogP:	4.58	Num_rotatable_bonds:	5
MolWt:	462.67	Num_heavy_atoms:	33
TPSA:	75.99	NumAromaticRings:	0