GD005160

Name:

FLORALGINSENOSIDE TD

Formula:

C53H90O25

Smiles:

C=C(C)C(CC[C@@](C)(O[C@@H]1O[C@H](COC2OC[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O[C@@H]4O[C@H](COC5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@H]3[C@H](O)C[C@]12C)OO

Aglycone:

C=C(C)C(CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C)OO

Sugarmoiety:

OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL583330
• CNP0366869

AD04409

Formula: C30H52O6

Smiles:

C=C(C)C(CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C)OO

HBA:	6	RingCount:	4
HBD:	5	FractionCSP3:	0.93
AlogP:	4.94	Num_rotatable_bonds:	6
MolWt:	508.74	Num_heavy_atoms:	36
TPSA:	110.38	NumAromaticRings:	0