Glycoside
...
GD071824

Name:
None

Formula:
C14H23O8N3S

Smiles:
Cc1cc(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)nc(C2CC2)n1

Aglycone:
COS(O)(O)O.Cc1cc(N)nc(C2CC2)n1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.71
AlogP: 0.04 Num_rotatable_bonds: 6
MolWt: 393.42 Num_heavy_atoms: 26
TPSA: 177.65 NumAromaticRings: 1

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
AD26461
Formula: C8H11N3

Smiles:
Cc1cc(N)nc(C2CC2)n1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 1.24 Num_rotatable_bonds: 1
MolWt: 149.2 Num_heavy_atoms: 11
TPSA: 51.8 NumAromaticRings: 1

Sugarmoiety
SD00017

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