GD021426

Name:

None

Formula:

C64H92O26

Smiles:

COC(C(=O)C1OC2(CCCCC2)OC1C)C1Cc2cc3cc(OC4CC(OC(C)=O)C(OC5CC(O)C(OC)C(C)O5)C(C)O4)cc(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(C)(O)C(OC(=O)C(C)C)C(C)O3)C(O)C(C)O2)C(O)C(C)O1

Aglycone:

CC(C)C(=O)O.COC(C(=O)C1OC2(CCCCC2)OC1C)C1Cc2cc3cc(O)cc(O)c3c(O)c2C(=O)C1O

Sugarmoiety:

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

Other Identifiers

• CHEMBL218453

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

AD14656

Formula: C26H30O9

Smiles:

COC(C(=O)C1OC2(CCCCC2)OC1C)C1Cc2cc3cc(O)cc(O)c3c(O)c2C(=O)C1O

HBA:	9	RingCount:	5
HBD:	4	FractionCSP3:	0.54
AlogP:	2.72	Num_rotatable_bonds:	4
MolWt:	486.52	Num_heavy_atoms:	35
TPSA:	142.75	NumAromaticRings:	2