Glycoside
...
GD014129

Name:
None

Formula:
C18H24O5N6

Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(NC4CCC5OC5C4)ncnc32)[C@H](O)[C@H]1O

Aglycone:
C1=Nc2c(ncnc2NC2CCC3OC3C2)[N]1.CCNC=O

Sugarmoiety:
OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 5
HBD: 4 FractionCSP3: 0.67
AlogP: -0.69 Num_rotatable_bonds: 5
MolWt: 404.43 Num_heavy_atoms: 29
TPSA: 146.95 NumAromaticRings: 2

Unique Aglycone
AD00170
Formula: C3H7ON

Smiles:
CCNC=O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: -0.25 Num_rotatable_bonds: 2
MolWt: 73.09 Num_heavy_atoms: 5
TPSA: 29.1 NumAromaticRings: 0
AD10441
Formula: C11H12ON5

Smiles:
C1=Nc2c(ncnc2NC2CCC3OC3C2)[N]1
HBA: 6 RingCount: 4
HBD: 1 FractionCSP3: 0.55
AlogP: 1.12 Num_rotatable_bonds: 2
MolWt: 230.25 Num_heavy_atoms: 17
TPSA: 76.8 NumAromaticRings: 1

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O