GD024573

Name:

PACHANOSIDE I1

Formula:

C49H74O20

Smiles:

CC(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]34OC(=O)[C@@]12C[C@H]4C

Aglycone:

CC(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34OC(=O)C12CC4C

Sugarmoiety:

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

• CHEMBL2047207
• CNP0325175

AD16384

Formula: C32H48O5

Smiles:

CC(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34OC(=O)C12CC4C

HBA:	5	RingCount:	7
HBD:	1	FractionCSP3:	0.88
AlogP:	6.23	Num_rotatable_bonds:	1
MolWt:	512.73	Num_heavy_atoms:	37
TPSA:	72.83	NumAromaticRings:	0