Glycoside
...
GD097951

Name:
None

Formula:
C20H25O8N5

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(OC4CN(C)C4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CN1CC(Oc2ncnc3c2N=C[N]3)C1.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 0 FractionCSP3: 0.6
AlogP: -0.16 Num_rotatable_bonds: 7
MolWt: 463.45 Num_heavy_atoms: 33
TPSA: 144.2 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
AD41664
Formula: C9H10ON5

Smiles:
CN1CC(Oc2ncnc3c2N=C[N]3)C1
HBA: 6 RingCount: 3
HBD: 0 FractionCSP3: 0.44
AlogP: 0.08 Num_rotatable_bonds: 2
MolWt: 204.21 Num_heavy_atoms: 15
TPSA: 64.71 NumAromaticRings: 1

Sugarmoiety
SD00105

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