GD125477

Name:

2-[(6-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C44H70O18

Smiles:

CC1CCC2(CC3C(CC4C5CC=C6CC(OC7OC(CO)C(OC8OC(CO)C(OC9OC(CO)C(O)C(O)C9O)C(O)C8O)C(O)C7O)CCC6(C)C5CCC34C)O2)OC1

Aglycone:

CC1CCC2(CC3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC34C)O2)OC1

Sugarmoiety:

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

Other Identifiers

• CNP0274728

AD50212

Formula: C26H40O3

Smiles:

CC1CCC2(CC3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC34C)O2)OC1

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	0.92
AlogP:	5.47	Num_rotatable_bonds:	0
MolWt:	400.6	Num_heavy_atoms:	29
TPSA:	38.69	NumAromaticRings:	0