Glycoside
...
GD093930

Name:
None

Formula:
C19H27O10N2ClS

Smiles:
O=C(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)[C@H](c1ccccc1Cl)N1CCOCC1

Aglycone:
COS(O)(O)O.NC(=O)C(c1ccccc1Cl)N1CCOCC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.61
AlogP: -0.21 Num_rotatable_bonds: 7
MolWt: 498.94 Num_heavy_atoms: 32
TPSA: 181.41 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
AD36617
Formula: C13H15O2N2Cl

Smiles:
NC(=O)C(c1ccccc1Cl)N1CCOCC1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.42
AlogP: 1.2 Num_rotatable_bonds: 3
MolWt: 254.72 Num_heavy_atoms: 17
TPSA: 55.56 NumAromaticRings: 1

Sugarmoiety
SD00017

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