GD014247

Name:

None

Formula:

C58H88O25

Smiles:

COC1C(O)CC(OC2C(C)OC(Oc3cc(O)c4c(O)c5c(cc4c3)CC(C(OC)C(O)C(O)C(C)O)C(OC3CC(OC4CC(OC6CC(C)(O)C(OC(=O)C(C)C)C(C)O6)C(O)C(C)O4)C(O)C(C)O3)C5)CC2OC(C)=O)OC1C

Aglycone:

CC(C)C(=O)O.Oc1cc(O)c2c(O)c3c(cc2c1)CCC(O)C3

Sugarmoiety:

CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.COC(O)C(O)C(O)C(C)O.COC1C(O)CC(OC2C(C)OC(O)CC2OC(C)=O)OC1C

Other Identifiers

• CHEMBL405431

AD00350

Formula: C4H8O2

Smiles:

CC(C)C(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	0.73	Num_rotatable_bonds:	1
MolWt:	88.11	Num_heavy_atoms:	6
TPSA:	37.3	NumAromaticRings:	0

AD10501

Formula: C14H14O4

Smiles:

Oc1cc(O)c2c(O)c3c(cc2c1)CCC(O)C3

HBA:	4	RingCount:	3
HBD:	4	FractionCSP3:	0.29
AlogP:	1.81	Num_rotatable_bonds:	0
MolWt:	246.26	Num_heavy_atoms:	18
TPSA:	80.92	NumAromaticRings:	2