Glycoside
...
GD095632

Name:
None

Formula:
C18H30O11N3S

Smiles:
COc1cc(N2CCC([NH2+][C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)CC2)ccc1[N+](=O)[O-]

Aglycone:
COS(O)(O)O.COc1cc(N2CCC([NH3+])CC2)ccc1[N+](=O)[O-]

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 8 FractionCSP3: 0.67
AlogP: -0.9 Num_rotatable_bonds: 8
MolWt: 496.52 Num_heavy_atoms: 33
TPSA: 212.06 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
AD37078
Formula: C12H18O3N3

Smiles:
COc1cc(N2CCC([NH3+])CC2)ccc1[N+](=O)[O-]
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.5
AlogP: 0.81 Num_rotatable_bonds: 3
MolWt: 252.29 Num_heavy_atoms: 18
TPSA: 83.25 NumAromaticRings: 1

Sugarmoiety
SD03900

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