GD144630

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}-3,6b,10,10,12a,12b,14a-heptamethyl-icosahydro-1H-piceno[13,12b-b]oxiren-2-yl benzoate

Formula:

C54H80O20

Smiles:

CC1(C=O)CC2C(C)(CC1OC(=O)c1ccccc1)C(O)CC1(C)C3(C)CCC4C(C)(C)C(OC5OCC(OC6OC(CO)C(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CC3OC321

Aglycone:

CC1(C=O)CC2C(C)(CC1OC(=O)c1ccccc1)C(O)CC1(C)C3(C)CCC4C(C)(C)C(O)CCC4(C)C3CC3OC321

Sugarmoiety:

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

Other Identifiers

• CNP0110582

AD58108

Formula: C37H52O6

Smiles:

CC1(C=O)CC2C(C)(CC1OC(=O)c1ccccc1)C(O)CC1(C)C3(C)CCC4C(C)(C)C(O)CCC4(C)C3CC3OC321

HBA:	6	RingCount:	7
HBD:	2	FractionCSP3:	0.78
AlogP:	6.37	Num_rotatable_bonds:	3
MolWt:	592.82	Num_heavy_atoms:	43
TPSA:	96.36	NumAromaticRings:	1