Glycoside
...
GD093844

Name:
None

Formula:
C19H29O9N3ClS

Smiles:
C[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)cc2Cl)CC1

Aglycone:
COS(O)(O)O.C[NH+]1CCN(c2ccc(C(N)=O)cc2Cl)CC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 8 FractionCSP3: 0.61
AlogP: -1.63 Num_rotatable_bonds: 6
MolWt: 498.96 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
AD36378
Formula: C13H17ON3Cl

Smiles:
C[NH+]1CCN(c2ccc(C(N)=O)cc2Cl)CC1
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.42
AlogP: -0.23 Num_rotatable_bonds: 2
MolWt: 254.74 Num_heavy_atoms: 17
TPSA: 50.77 NumAromaticRings: 1

Sugarmoiety
SD00017

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