GD132341

Name:

16-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6,14-dihydroxy-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]icos-18-en-10-one

Formula:

C45H72O21

Smiles:

CC(CCC1(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CC(O)C5(C)C4CC(=O)C3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O

Aglycone:

CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CC(=O)C3(C)C2C1C

Sugarmoiety:

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

Other Identifiers

• CNP0097227

AD47489

Formula: C27H42O6

Smiles:

CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CC(=O)C3(C)C2C1C

HBA:	6	RingCount:	5
HBD:	4	FractionCSP3:	0.89
AlogP:	2.82	Num_rotatable_bonds:	4
MolWt:	462.63	Num_heavy_atoms:	33
TPSA:	107.22	NumAromaticRings:	0