GD000305

Name:

None

Formula:

C58H83O28N

Smiles:

COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC(C)=O)C(OC5CC(O)C(OC)C(C)O5)C(C)O4)c([N+](=O)[O-])c(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.O=C1c2c(cc3cc(O)c([N+](=O)[O-])c(O)c3c2O)CCC1O

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

• CHEMBL265118

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

AD00351

Formula: C14H11O7N

Smiles:

O=C1c2c(cc3cc(O)c([N+](=O)[O-])c(O)c3c2O)CCC1O

HBA:	8	RingCount:	3
HBD:	4	FractionCSP3:	0.21
AlogP:	1.35	Num_rotatable_bonds:	1
MolWt:	305.24	Num_heavy_atoms:	22
TPSA:	141.13	NumAromaticRings:	2