Glycoside
...
GD096620

Name:
None

Formula:
C20H28O8N4S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](Nc2ncnc3c2CN(Cc2ccccc2)CC3)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1ncnc2c1CN(Cc1ccccc1)CC2

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 7 FractionCSP3: 0.5
AlogP: 0.41 Num_rotatable_bonds: 7
MolWt: 484.53 Num_heavy_atoms: 33
TPSA: 180.89 NumAromaticRings: 2

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD41082
Formula: C14H16N4

Smiles:
Nc1ncnc2c1CN(Cc1ccccc1)CC2
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.29
AlogP: 1.62 Num_rotatable_bonds: 2
MolWt: 240.31 Num_heavy_atoms: 18
TPSA: 55.04 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O