GD121138

Name:

16-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(1-hydroxy-3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-10-one

Formula:

C45H74O20

Smiles:

CC(COC1OC(CO)C(O)C(O)C1O)CC(O)C1OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C2C1C

Aglycone:

CC(CO)CC(O)C1OC2CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C2C1C

Sugarmoiety:

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

Other Identifiers

• CNP0115593

AD48731

Formula: C27H44O5

Smiles:

CC(CO)CC(O)C1OC2CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C2C1C

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.96
AlogP:	3.58	Num_rotatable_bonds:	4
MolWt:	448.64	Num_heavy_atoms:	32
TPSA:	86.99	NumAromaticRings:	0