Glycoside
...
GD086615

Name:
None

Formula:
C18H31O8N2S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)[C@H]1O

Aglycone:
COS(O)(O)O.[NH3+]C1CCN(Cc2ccccc2)CC1

Sugarmoiety:
OC1OC(O)C([OH2+])C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 8 FractionCSP3: 0.67
AlogP: -0.82 Num_rotatable_bonds: 7
MolWt: 435.52 Num_heavy_atoms: 29
TPSA: 159.69 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
AD32280
Formula: C12H19N2

Smiles:
[NH3+]C1CCN(Cc2ccccc2)CC1
HBA: 2 RingCount: 2
HBD: 3 FractionCSP3: 0.5
AlogP: 0.89 Num_rotatable_bonds: 2
MolWt: 191.3 Num_heavy_atoms: 14
TPSA: 30.88 NumAromaticRings: 1

Sugarmoiety
SD03900

OC1OC(O)C([OH2+])C(O)C1O