GD035759

Name:

ROTUNDUSIDE A

Formula:

C34H46O21

Smiles:

COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO[C@@H]3C=C(CO)[C@@H]4[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)OC=C(C(=O)OC)[C@H]34)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1C=C[C@@]2(O)CO

Aglycone:

COC(=O)C1=COC(O)C2C(CO)=CC(OC)C12.COC(=O)C1=COC(O)C2C1C=CC2(O)CO

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2296793
• CNP0339438

AD01465

Formula: C11H14O6

Smiles:

COC(=O)C1=COC(O)C2C1C=CC2(O)CO

HBA:	6	RingCount:	2
HBD:	3	FractionCSP3:	0.55
AlogP:	-1.08	Num_rotatable_bonds:	2
MolWt:	242.23	Num_heavy_atoms:	17
TPSA:	96.22	NumAromaticRings:	0

AD22608

Formula: C12H16O6

Smiles:

COC(=O)C1=COC(O)C2C(CO)=CC(OC)C12

HBA:	6	RingCount:	2
HBD:	2	FractionCSP3:	0.58
AlogP:	-0.43	Num_rotatable_bonds:	3
MolWt:	256.25	Num_heavy_atoms:	18
TPSA:	85.22	NumAromaticRings:	0