GD008027

Name:

Lanatoside B

Formula:

C49H76O20

Smiles:

CC(=O)O[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@H](CC[C@@H]6[C@H]5CC[C@]5(C)[C@H](C7=CC(=O)OC7)[C@H](O)C[C@]65O)C4)C[C@H]3O)C[C@H]2O)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(O)CC12O

Sugarmoiety:

CC(=O)OC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

• CHEMBL3391988
• CNP0318603

AD06461

Formula: C23H34O5

Smiles:

CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(O)CC12O

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.87
AlogP:	2.58	Num_rotatable_bonds:	1
MolWt:	390.52	Num_heavy_atoms:	28
TPSA:	86.99	NumAromaticRings:	0