GD130482

Name:

2-{[4-hydroxy-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-{7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-8'-oloxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:

C44H70O17

Smiles:

CC1OC(OC2C(CO)OC(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC6(CCCCO6)C(C)C54O)C3)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Aglycone:

CC1C2(CCCCO2)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21O

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0337363

AD52880

Formula: C26H40O4

Smiles:

CC1C2(CCCCO2)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21O

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.92
AlogP:	4.58	Num_rotatable_bonds:	0
MolWt:	416.6	Num_heavy_atoms:	30
TPSA:	58.92	NumAromaticRings:	0