GD031251

Name:

DUMORTIERINOSIDE A

Formula:

C48H74O19

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@H]3[C@H](O[C@@H]4CC[C@]5(C)[C@H](CC[C@]6(C)[C@H]5CC=C5[C@@H]7CC(C)(C)C[C@H](O)[C@@]78C[C@H](OC8=O)[C@]56C)C4(C)C)O[C@@H](C(=O)O)[C@@H](O)[C@H]3O)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1(C)CC(O)C23CC(OC2=O)C2(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC42C)C3C1

Sugarmoiety:

CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2047215
• CNP0340117

AD20149

Formula: C30H46O4

Smiles:

CC1(C)CC(O)C23CC(OC2=O)C2(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC42C)C3C1

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.9
AlogP:	5.66	Num_rotatable_bonds:	0
MolWt:	470.69	Num_heavy_atoms:	34
TPSA:	66.76	NumAromaticRings:	0