GD023548

Name:

None

Formula:

C95H142O28N32

Smiles:

CN1CCN(c2ccc3nc(-c4ccc5[nH]c(-c6ccc(OCc7cn(CCCCC(=O)C(CCn8cc(OCc9cn(C[C@@H]%10O[C@H](O[C@H]%11[C@H](O[C@@H]%12O[C@H](CN)[C@H](O)[C@H](O)[C@H]%12N)[C@@H](N)C[C@@H](N)[C@H]%11O)[C@H](O)[C@H]%10O[C@@H]%10O[C@H](CN)[C@H](O)[C@H](O)[C@H]%10N)nn9)nn8)CCn8cc(OCc9cn(C[C@@H]%10O[C@H](O[C@H]%11[C@H](O[C@@H]%12O[C@H](CN)[C@H](O)[C@H](O)[C@H]%12N)[C@@H](N)C[C@@H](N)[C@H]%11O)[C@H](O)[C@H]%10O[C@@H]%10O[C@H](CN)[C@H](O)[C@H](O)[C@H]%10N)nn9)nn8)nn7)cc6)cc5c4)[nH]c3c2)CC1

Aglycone:

CN1CCN(c2ccc3nc(-c4ccc5[nH]c(-c6ccc(OCc7cn(CCCCC(=O)C(CCn8cc(OCc9cn(C)nn9)nn8)CCn8cc(OCc9cn(C)nn9)nn8)nn7)cc6)cc5c4)[nH]c3c2)CC1.NC1CC(N)C(O)C(O)C1O.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:

NCC1OC(O)C(N)C(O)C1O.NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O

Other Identifiers

• CHEMBL4585770

AD00009

Formula: C6H14O3N2

Smiles:

NC1CC(N)C(O)C(O)C1O

HBA:	5	RingCount:	1
HBD:	7	FractionCSP3:	1.0
AlogP:	-2.87	Num_rotatable_bonds:	0
MolWt:	162.19	Num_heavy_atoms:	11
TPSA:	112.73	NumAromaticRings:	0

AD15826

Formula: C51H58O4N20

Smiles:

CN1CCN(c2ccc3nc(-c4ccc5[nH]c(-c6ccc(OCc7cn(CCCCC(=O)C(CCn8cc(OCc9cn(C)nn9)nn8)CCn8cc(OCc9cn(C)nn9)nn8)nn7)cc6)cc5c4)[nH]c3c2)CC1

HBA:	24	RingCount:	11
HBD:	2	FractionCSP3:	0.37
AlogP:	5.43	Num_rotatable_bonds:	24
MolWt:	1015.16	Num_heavy_atoms:	75
TPSA:	249.26	NumAromaticRings:	10