GD132685

Name:

3-formyl-4a-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 benzoate

Formula:

C54H80O21

Smiles:

CC1(C=O)CC2(O)C(C)(CCC3(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)C4CC4OC432)CC1OC(=O)c1ccccc1

Aglycone:

CC1(C=O)CC2(O)C(C)(CCC3(C)C4(C)CCC5C(C)(CO)C(O)CCC5(C)C4CC4OC432)CC1OC(=O)c1ccccc1

Sugarmoiety:

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

Other Identifiers

• CNP0274533

AD53719

Formula: C37H52O7

Smiles:

CC1(C=O)CC2(O)C(C)(CCC3(C)C4(C)CCC5C(C)(CO)C(O)CCC5(C)C4CC4OC432)CC1OC(=O)c1ccccc1

HBA:	7	RingCount:	7
HBD:	3	FractionCSP3:	0.78
AlogP:	5.48	Num_rotatable_bonds:	4
MolWt:	608.82	Num_heavy_atoms:	44
TPSA:	116.59	NumAromaticRings:	1