Glycoside
...
GD096934

Name:
None

Formula:
C20H24O9N2S

Smiles:
O=C(Cn1c2ccccc2c2ccccc21)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)Cn1c2ccccc2c2ccccc21

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 7 FractionCSP3: 0.35
AlogP: 0.87 Num_rotatable_bonds: 6
MolWt: 468.48 Num_heavy_atoms: 32
TPSA: 173.87 NumAromaticRings: 3

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
AD41203
Formula: C14H12ON2

Smiles:
NC(=O)Cn1c2ccccc2c2ccccc21
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.07
AlogP: 2.28 Num_rotatable_bonds: 2
MolWt: 224.26 Num_heavy_atoms: 17
TPSA: 48.02 NumAromaticRings: 3

Sugarmoiety
SD00017

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