Glycoside
...
GD103207

Name:
None

Formula:
C21H25O4N7S

Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=S)Nc4ccccc4CC)ncnc32)[C@H](O)[C@@H]1O

Aglycone:
CCNC=O.CCc1ccccc1NC(=S)Nc1ncnc2c1N=C[N]2

Sugarmoiety:
OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 5 FractionCSP3: 0.38
AlogP: 0.95 Num_rotatable_bonds: 6
MolWt: 471.54 Num_heavy_atoms: 33
TPSA: 146.45 NumAromaticRings: 3

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
AD43669
Formula: C14H13N6S

Smiles:
CCc1ccccc1NC(=S)Nc1ncnc2c1N=C[N]2
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.14
AlogP: 2.76 Num_rotatable_bonds: 3
MolWt: 297.37 Num_heavy_atoms: 21
TPSA: 76.3 NumAromaticRings: 2

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O