GD155017

Name:

2-({2-[(4,5-dihydroxy-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-14'-oloxy}oxan-3-yl)oxy]-3,5-dihydroxy-6-methyloxan-4-yl}oxy)-6-methyloxane-3,4,5-triol

Formula:

C44H72O16

Smiles:

CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(OC7OC(C)C(O)C(O)C7O)C6O)CC(O)C5(C)C4CCC3(C)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C

Sugarmoiety:

CC1OC(OC2C(O)C(C)OC(OC3C(O)OCC(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0338107

AD08033

Formula: C27H44O4

Smiles:

CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	1.0
AlogP:	4.76	Num_rotatable_bonds:	0
MolWt:	432.65	Num_heavy_atoms:	31
TPSA:	58.92	NumAromaticRings:	0