Glycoside
...
GD094206

Name:
None

Formula:
C15H20O10N2S2

Smiles:
O=C(COc1nc2ccccc2s1)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
COS(O)(O)O.NC(=O)COc1nc2ccccc2s1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.47
AlogP: -0.25 Num_rotatable_bonds: 7
MolWt: 452.46 Num_heavy_atoms: 29
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
AD30877
Formula: C9H8O2N2S

Smiles:
NC(=O)COc1nc2ccccc2s1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.11
AlogP: 1.16 Num_rotatable_bonds: 3
MolWt: 208.24 Num_heavy_atoms: 14
TPSA: 65.21 NumAromaticRings: 2

Sugarmoiety
SD00017

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