Glycoside
...
GD079822

Name:
None

Formula:
C15H21O8N3S

Smiles:
Cc1cccc2c(N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)ncnc12

Aglycone:
COS(O)(O)O.Cc1cccc2c(N)ncnc12

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.47
AlogP: 0.31 Num_rotatable_bonds: 5
MolWt: 403.41 Num_heavy_atoms: 27
TPSA: 177.65 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
AD26875
Formula: C9H9N3

Smiles:
Cc1cccc2c(N)ncnc12
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.11
AlogP: 1.52 Num_rotatable_bonds: 0
MolWt: 159.19 Num_heavy_atoms: 12
TPSA: 51.8 NumAromaticRings: 2

Sugarmoiety
SD00017

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