GD016050

Name:

Solanine

Formula:

C45H73O15N

Smiles:

C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3[C@H](C[C@@H]4[C@@H]5CC=C6CC(O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@H]5CC[C@@]34C)N2C1

Aglycone:

CC1CCC2C(C)C3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC43C)N2C1

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2357167
• CNP0213318

AD08056

Formula: C27H43ON

Smiles:

CC1CCC2C(C)C3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC43C)N2C1

HBA:	2	RingCount:	6
HBD:	1	FractionCSP3:	0.93
AlogP:	5.66	Num_rotatable_bonds:	0
MolWt:	397.65	Num_heavy_atoms:	29
TPSA:	23.47	NumAromaticRings:	0