GD117188

Name:

16'-[(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-20'-one

Formula:

C44H68O17

Smiles:

CC1CCC2(OC1)OC1CC3C4C(=O)C=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4C(=O)C=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

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

Other Identifiers

• CNP0203472

AD46680

Formula: C27H40O4

Smiles:

CC1CCC2(OC1)OC1CC3C4C(=O)C=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	4	RingCount:	6
HBD:	1	FractionCSP3:	0.89
AlogP:	4.89	Num_rotatable_bonds:	0
MolWt:	428.61	Num_heavy_atoms:	31
TPSA:	55.76	NumAromaticRings:	0