Glycoside
...
GD017543

Name:
None

Formula:
C20H26O8N6

Smiles:
CNC(=O)OC[C@@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
C1=Nc2c(ncnc2NC2CCOC2)[N]1.CNC(=O)OC

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 2 FractionCSP3: 0.6
AlogP: 0.14 Num_rotatable_bonds: 7
MolWt: 478.46 Num_heavy_atoms: 34
TPSA: 165.02 NumAromaticRings: 2

Unique Aglycone
AD00472
Formula: C3H7O2N

Smiles:
CNC(=O)OC
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: -0.03 Num_rotatable_bonds: 0
MolWt: 89.09 Num_heavy_atoms: 6
TPSA: 38.33 NumAromaticRings: 0
AD01177
Formula: C9H10ON5

Smiles:
C1=Nc2c(ncnc2NC2CCOC2)[N]1
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 0.44
AlogP: 0.59 Num_rotatable_bonds: 2
MolWt: 204.21 Num_heavy_atoms: 15
TPSA: 73.5 NumAromaticRings: 1

Sugarmoiety
SD00105

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