Glycoside
...
GD096876

Name:
None

Formula:
C18H24O10N2S2

Smiles:
COc1ccc(-c2nc(CC(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cs2)cc1

Aglycone:
COS(O)(O)O.COc1ccc(-c2nc(CC(N)=O)cs2)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.44
AlogP: 0.44 Num_rotatable_bonds: 8
MolWt: 492.53 Num_heavy_atoms: 32
TPSA: 191.06 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
AD37520
Formula: C12H12O2N2S

Smiles:
COc1ccc(-c2nc(CC(N)=O)cs2)cc1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.17
AlogP: 1.85 Num_rotatable_bonds: 4
MolWt: 248.31 Num_heavy_atoms: 17
TPSA: 65.21 NumAromaticRings: 2

Sugarmoiety
SD00017

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