GD142569

Name:

2-({2-[(2-{[17-(2,3-dimethylbut-3-en-1-yl)-16-hydroxy-2,6,6,10,16-pentamethyl-18,20-dioxahexacyclo[17.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,¹⁹]docosan-7-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-3,5-dihydroxy-6-methyloxan-4-yl}oxy)-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

Formula:

C54H88O22

Smiles:

C=C(C)C(C)CC1OC23CC4(CO2)C(CCC2C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(C)C(O)C(OC8OC(COC9OCC(O)C(O)C9O)C(O)C(O)C8O)C7O)C6O)C(C)(C)C5CCC24C)C3C1(C)O

Aglycone:

C=C(C)C(C)CC1OC23CC4(CO2)C(CCC2C5(C)CCC(O)C(C)(C)C5CCC24C)C3C1(C)O

Sugarmoiety:

CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C1O

Other Identifiers

• CNP0191817

AD57370

Formula: C31H50O4

Smiles:

C=C(C)C(C)CC1OC23CC4(CO2)C(CCC2C5(C)CCC(O)C(C)(C)C5CCC24C)C3C1(C)O

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.94
AlogP:	6.1	Num_rotatable_bonds:	3
MolWt:	486.74	Num_heavy_atoms:	35
TPSA:	58.92	NumAromaticRings:	0