GD028601

Name:

None

Formula:

C60H66O21N3Br

Smiles:

CC(=O)O[C@@H]1C2=C(C)[C@H](OC(=O)[C@H](O)[C@H](NC(=O)c3ccccc3)c3ccccc3)C[C@](O)([C@H](OC(=O)c3ccccc3)C3[C@]4(OC(C)=O)CO[C@H]4CC[C@@]3(C)[C@H]1OC(=O)CCC(=O)OC[C@@H]1O[C@H](n3cc(Br)c(=O)[nH]c3=O)[C@H](O)[C@H]1O)C2(C)C

Aglycone:

COC(=O)CCC(=O)OC1C(OC(C)=O)C2=C(C)C(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)CC(O)(C(OC(=O)c3ccccc3)C3C1(C)CCC1OCC13OC(C)=O)C2(C)C.O=c1[nH]cc(Br)c(=O)[nH]1

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL430350

AD04715

Formula: C4H3O2N2Br

Smiles:

O=c1[nH]cc(Br)c(=O)[nH]1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.17	Num_rotatable_bonds:	0
MolWt:	190.98	Num_heavy_atoms:	9
TPSA:	65.72	NumAromaticRings:	1

AD08615

Formula: C52H59O16N

Smiles:

COC(=O)CCC(=O)OC1C(OC(C)=O)C2=C(C)C(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)CC(O)(C(OC(=O)c3ccccc3)C3C1(C)CCC1OCC13OC(C)=O)C2(C)C

HBA:	17	RingCount:	7
HBD:	3	FractionCSP3:	0.48
AlogP:	5.06	Num_rotatable_bonds:	14
MolWt:	954.03	Num_heavy_atoms:	69
TPSA:	236.59	NumAromaticRings:	3