Glycoside
...
GD095231

Name:
None

Formula:
C19H32O9N3S

Smiles:
CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cc2)CC1

Aglycone:
CC[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 8 FractionCSP3: 0.63
AlogP: -1.9 Num_rotatable_bonds: 7
MolWt: 478.54 Num_heavy_atoms: 32
TPSA: 176.62 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
AD35063
Formula: C13H20ON3

Smiles:
CC[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.46
AlogP: -0.49 Num_rotatable_bonds: 3
MolWt: 234.32 Num_heavy_atoms: 17
TPSA: 50.77 NumAromaticRings: 1

Sugarmoiety
SD00017

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