GD005530

Name:

SOLANIGROSIDE D

Formula:

C55H88O27

Smiles:

C[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(OC(=O)[C@H](C)C[C@H]8O)[C@H](C)[C@H]7[C@]6(C)CC[C@H]54)C3)O[C@@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1CC(O)C2(OC1=O)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL506199
• CNP0224283

AD04689

Formula: C27H42O5

Smiles:

CC1CC(O)C2(OC1=O)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.96
AlogP:	4.29	Num_rotatable_bonds:	0
MolWt:	446.63	Num_heavy_atoms:	32
TPSA:	75.99	NumAromaticRings:	0