Glycoside
...
GD087428

Name:
None

Formula:
C16H22O11N2S

Smiles:
O=C(CCn1c(=O)oc2ccccc21)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)CCn1c(=O)oc2ccccc21

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.5
AlogP: -0.94 Num_rotatable_bonds: 7
MolWt: 450.42 Num_heavy_atoms: 30
TPSA: 204.08 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
AD38450
Formula: C10H10O3N2

Smiles:
NC(=O)CCn1c(=O)oc2ccccc21
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.2
AlogP: 0.47 Num_rotatable_bonds: 3
MolWt: 206.2 Num_heavy_atoms: 15
TPSA: 78.23 NumAromaticRings: 2

Sugarmoiety
SD00017

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