GD039106

Name:

(1s,2r,3s,4r,6s)-4,6-bis{[amino(iminio)methyl]amino}-2-{[3-o-(2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-l-glucopyranosyl)-beta-d-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-l-glucopyranoside

Formula:

C29H64O13N18

Smiles:

NC(=[NH2+])NC[C@H]1O[C@H](O[C@H]2[C@@H](NC(N)=[NH2+])C[C@@H](NC(N)=[NH2+])[C@@H](O)[C@H]2O[C@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CNC(N)=[NH2+])[C@H](O)[C@H](O)[C@@H]3NC(N)=[NH2+])[C@@H]2O)[C@@H](NC(N)=[NH2+])[C@@H](O)[C@H]1O

Aglycone:

CNC(N)=[NH2+].CNC(N)=[NH2+].NC(=[NH2+])NC1CC(NC(N)=[NH2+])C(O)C(O)C1O

Sugarmoiety:

NC(=[NH2+])NC1C(O)OC(O)C(O)C1O.NC(=[NH2+])NC1C(OC2C(CO)OC(O)C2O)OC(O)C(O)C1O

Other Identifiers

• G0B

AD24284

Formula: C2H8N3

Smiles:

CNC(N)=[NH2+]

HBA:	3	RingCount:	0
HBD:	5	FractionCSP3:	0.5
AlogP:	-2.72	Num_rotatable_bonds:	0
MolWt:	74.11	Num_heavy_atoms:	5
TPSA:	63.64	NumAromaticRings:	0

AD24285

Formula: C8H20O3N6

Smiles:

NC(=[NH2+])NC1CC(NC(N)=[NH2+])C(O)C(O)C1O

HBA:	9	RingCount:	1
HBD:	13	FractionCSP3:	0.75
AlogP:	-7.46	Num_rotatable_bonds:	2
MolWt:	248.29	Num_heavy_atoms:	17
TPSA:	187.97	NumAromaticRings:	0