GD003786

Name:

None

Formula:

C59H86O26

Smiles:

COc1cc(OC2CC(OC(C)=O)C(OC3CC(O)C(OC)C(C)O3)C(C)O2)cc2cc3c(c(O)c12)C(=O)C(OC1CC(OC2CC(OC4CC(C)(O)C(OC(=O)C(C)C)C(C)O4)C(O)C(C)O2)C(O)C(C)O1)C(C(OC)C(=O)C(O)C(C)O)C3

Aglycone:

CC(C)C(=O)O.COc1cc(O)cc2cc3c(c(O)c12)C(=O)C(O)CC3

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

• CHEMBL414712

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

AD03391

Formula: C15H14O5

Smiles:

COc1cc(O)cc2cc3c(c(O)c12)C(=O)C(O)CC3

HBA:	5	RingCount:	3
HBD:	3	FractionCSP3:	0.27
AlogP:	1.75	Num_rotatable_bonds:	1
MolWt:	274.27	Num_heavy_atoms:	20
TPSA:	86.99	NumAromaticRings:	2