Glycoside
...
GD096634

Name:
None

Formula:
C19H28O8N4S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](Nc2nc3ccccc3nc2N2CCCCC2)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1nc2ccccc2nc1N1CCCCC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 7 FractionCSP3: 0.58
AlogP: 0.99 Num_rotatable_bonds: 6
MolWt: 472.52 Num_heavy_atoms: 32
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
AD41090
Formula: C13H16N4

Smiles:
Nc1nc2ccccc2nc1N1CCCCC1
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.38
AlogP: 2.2 Num_rotatable_bonds: 1
MolWt: 228.3 Num_heavy_atoms: 17
TPSA: 55.04 NumAromaticRings: 2

Sugarmoiety
SD00017

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