GD031103

Name:

None

Formula:

C40H65O15N

Smiles:

CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](OC2OC(C)C(O)C(N(C)C(C)=O)C2O)[C@H](CC=O)C[C@H](C)C(=O)C=CC(C)=C[C@H]1COC1OC(C)C(O)C(OC)C1OC

Aglycone:

CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1CO.CNC(C)=O

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.COC1C(O)OC(C)C(O)C1OC

Other Identifiers

• CHEMBL136820

AD01019

Formula: C3H7ON

Smiles:

CNC(C)=O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.67
AlogP:	-0.25	Num_rotatable_bonds:	0
MolWt:	73.09	Num_heavy_atoms:	5
TPSA:	29.1	NumAromaticRings:	0

AD01623

Formula: C23H36O7

Smiles:

CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1CO

HBA:	7	RingCount:	1
HBD:	3	FractionCSP3:	0.7
AlogP:	1.98	Num_rotatable_bonds:	4
MolWt:	424.53	Num_heavy_atoms:	30
TPSA:	121.13	NumAromaticRings:	0