Glycoside
...
GD031265

Name:
None

Formula:
C26H30O6N7Cl

Smiles:
NC(N)=Nc1nc(-c2cccc(N3CCN(C(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)CC3)c2)c2cc(Cl)ccc2n1

Aglycone:
NC(N)=Nc1nc(-c2cccc(N3CCNCC3)c2)c2cc(Cl)ccc2n1

Sugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)CO

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 9 FractionCSP3: 0.36
AlogP: -1.06 Num_rotatable_bonds: 8
MolWt: 560.01 Num_heavy_atoms: 39
TPSA: 214.88 NumAromaticRings: 3

Unique Aglycone
AD20157
Formula: C20H20N7Cl

Smiles:
NC(N)=Nc1nc(-c2cccc(N3CCNCC3)c2)c2cc(Cl)ccc2n1
HBA: 7 RingCount: 4
HBD: 5 FractionCSP3: 0.21
AlogP: 2.26 Num_rotatable_bonds: 3
MolWt: 381.87 Num_heavy_atoms: 27
TPSA: 105.45 NumAromaticRings: 3

Sugarmoiety
SD00229

O=C(O)C(O)C(O)C(O)C(O)CO