GD002380

Name:

ATRATOGLAUCOSIDE B

Formula:

C42H62O16

Smiles:

CO[C@H]1C[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@H](C)O[C@H](O[C@@H]4CC[C@]5(C)C(=CC[C@@H]6C(=O)O[C@@H]7CO[C@]8(C)OC(=O)C(=CC[C@H]65)[C@H]78)C4)[C@H](O)[C@H]3OC)C[C@H]2OC)O[C@@H](C)[C@H]1O

Aglycone:

CC12OCC3OC(=O)C4CC=C5CC(O)CCC5(C)C4CC=C(C(=O)O1)C32

Sugarmoiety:

COC1CC(OC2C(C)OC(OC3C(C)OC(O)C(O)C3OC)CC2OC)OC(C)C1O

Other Identifiers

• CHEMBL447384
• CNP0108556

AD02276

Formula: C21H26O6

Smiles:

CC12OCC3OC(=O)C4CC=C5CC(O)CCC5(C)C4CC=C(C(=O)O1)C32

HBA:	6	RingCount:	5
HBD:	1	FractionCSP3:	0.71
AlogP:	2.26	Num_rotatable_bonds:	0
MolWt:	374.43	Num_heavy_atoms:	27
TPSA:	82.06	NumAromaticRings:	0