Glycoside
...
GD096754

Name:
None

Formula:
C18H26O8N4S

Smiles:
CCN(c1ccccc1)c1cc(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)ncn1

Aglycone:
CCN(c1ccccc1)c1cc(N)ncn1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.44
AlogP: 1.01 Num_rotatable_bonds: 8
MolWt: 458.49 Num_heavy_atoms: 31
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
AD41137
Formula: C12H14N4

Smiles:
CCN(c1ccccc1)c1cc(N)ncn1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.17
AlogP: 2.22 Num_rotatable_bonds: 3
MolWt: 214.27 Num_heavy_atoms: 16
TPSA: 55.04 NumAromaticRings: 2

Sugarmoiety
SD00017

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