GD121043

Name:

(5-{[4,5-dihydroxy-2-({18-hydroxy-6,10,14,15,20,20-hexamethyl-22-oxo-21-oxahexacyclo[17.3.2.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]tetracosan-10-yl}methoxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl)methyl acetate

Formula:

C49H78O19

Smiles:

CC(=O)OCC1OC(OC2C(OCC3(C)CCCC4(C)C3CCC3(C)C4CCC4C3(C)CCC3(O)C5CCC43C(=O)OC5(C)C)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O

Aglycone:

CC1(CO)CCCC2(C)C1CCC1(C)C2CCC2C1(C)CCC1(O)C3CCC21C(=O)OC3(C)C.COC(C)=O

Sugarmoiety:

OCC1OC(OCC2OC(O)C(OC3OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0169596

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD48686

Formula: C30H48O4

Smiles:

CC1(CO)CCCC2(C)C1CCC1(C)C2CCC2C1(C)CCC1(O)C3CCC21C(=O)OC3(C)C

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.97
AlogP:	5.88	Num_rotatable_bonds:	1
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	66.76	NumAromaticRings:	0