GD146927

Name:

3-formyl-14-hydroxy-9-{[4-hydroxy-3,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-10-(hydroxymethyl)-3,6b,10,12a,12b,14a-hexamethyl-icosahydro-1H-piceno[13,12b-b]oxiren-2-yl 2-(methylamino)benzoate

Formula:

C55H83O21N

Smiles:

CNc1ccccc1C(=O)OC1CC2(C)C(O)CC3(C)C4(C)CCC5C(C)(CO)C(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CC4OC43C2CC1(C)C=O

Aglycone:

CNc1ccccc1C(=O)OC1CC2(C)C(O)CC3(C)C4(C)CCC5C(C)(CO)C(O)CCC5(C)C4CC4OC43C2CC1(C)C=O

Sugarmoiety:

OCC1OC(OC2COC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0144113

AD50555

Formula: C38H55O7N

Smiles:

CNc1ccccc1C(=O)OC1CC2(C)C(O)CC3(C)C4(C)CCC5C(C)(CO)C(O)CCC5(C)C4CC4OC43C2CC1(C)C=O

HBA:	8	RingCount:	7
HBD:	4	FractionCSP3:	0.79
AlogP:	5.38	Num_rotatable_bonds:	5
MolWt:	637.86	Num_heavy_atoms:	46
TPSA:	128.62	NumAromaticRings:	1