GD010359

Name:

POLYGONATOSIDE A

Formula:

C45H70O19

Smiles:

C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4[C@@H]3CC(=O)[C@@]3(C)[C@H]5[C@H](C[C@H]43)O[C@]3(CC[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CO3)[C@@H]5C)C2)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CC(=O)C32C)OC12CCC(CO)CO2

Sugarmoiety:

CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL444418
• CNP0172406

AD08012

Formula: C27H40O5

Smiles:

CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CC(=O)C32C)OC12CCC(CO)CO2

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.89
AlogP:	3.87	Num_rotatable_bonds:	1
MolWt:	444.61	Num_heavy_atoms:	32
TPSA:	75.99	NumAromaticRings:	0