Glycoside
...
GD097535

Name:
None

Formula:
C20H24O9N6

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC[C@@H]4CNC(=O)O4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1NCC(CNc2ncnc3c2N=C[N]3)O1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 2 FractionCSP3: 0.55
AlogP: -0.33 Num_rotatable_bonds: 8
MolWt: 492.45 Num_heavy_atoms: 35
TPSA: 182.09 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD41494
Formula: C9H9O2N6

Smiles:
O=C1NCC(CNc2ncnc3c2N=C[N]3)O1
HBA: 8 RingCount: 3
HBD: 2 FractionCSP3: 0.33
AlogP: -0.09 Num_rotatable_bonds: 3
MolWt: 233.21 Num_heavy_atoms: 17
TPSA: 102.6 NumAromaticRings: 1

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O