Glycoside
...
GD013922

Name:
None

Formula:
C18H24O5N6S

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

Aglycone:
C1=Nc2c(ncnc2NC2CCOC2)[N]1.C=CCN=C(S)OC

Sugarmoiety:
OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 3 FractionCSP3: 0.56
AlogP: 0.13 Num_rotatable_bonds: 7
MolWt: 436.49 Num_heavy_atoms: 30
TPSA: 136.14 NumAromaticRings: 2

Unique Aglycone
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
AD10318
Formula: C5H9ONS

Smiles:
C=CCN=C(S)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.4
AlogP: 1.1 Num_rotatable_bonds: 2
MolWt: 131.2 Num_heavy_atoms: 8
TPSA: 21.59 NumAromaticRings: 0

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O