Glycoside
...
GD094136

Name:
None

Formula:
C19H28O10N2S

Smiles:
C[C@H](c1ccccc1)N1C[C@@H](C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1=O

Aglycone:
CC(c1ccccc1)N1CC(C(N)=O)CC1=O.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.58
AlogP: -0.32 Num_rotatable_bonds: 7
MolWt: 476.5 Num_heavy_atoms: 32
TPSA: 189.25 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
AD34525
Formula: C13H16O2N2

Smiles:
CC(c1ccccc1)N1CC(C(N)=O)CC1=O
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.38
AlogP: 1.08 Num_rotatable_bonds: 3
MolWt: 232.28 Num_heavy_atoms: 17
TPSA: 63.4 NumAromaticRings: 1

Sugarmoiety
SD00017

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