GD119175

Name:

Grandibracteoside C

Formula:

C79H122O37N2

Smiles:

CC(O)=NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(OC(=O)c6ccccc6N)CC5(C(=O)OC5OC(CO)C(O)C(O)C5OC5OC(C)C(OC6OC(CO)C(O)C6O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)CC34C)C2(C)C)OC(COC2OC(C)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O

Aglycone:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C(=O)O)CC1OC(=O)c1ccccc1N

Sugarmoiety:

CC(O)=NC1C(O)OC(COC2OC(C)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O.CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C1O

Other Identifiers

• CNP0111905

AD05297

Formula: C37H53O6N

Smiles:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C(=O)O)CC1OC(=O)c1ccccc1N

HBA:	7	RingCount:	6
HBD:	5	FractionCSP3:	0.73
AlogP:	6.62	Num_rotatable_bonds:	3
MolWt:	607.83	Num_heavy_atoms:	44
TPSA:	130.08	NumAromaticRings:	1