Glycoside
...
GD007284

Name:
None

Formula:
C22H29O10NS

Smiles:
O=C(N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1C[C@](O)(CO)C[C@H](O)[C@H]1O)c1ccc2ccsc2c1

Aglycone:
NC(=O)c1ccc2ccsc2c1.OCC1(O)CC(O)C(O)C(O)C1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 8 FractionCSP3: 0.59
AlogP: -1.94 Num_rotatable_bonds: 6
MolWt: 499.54 Num_heavy_atoms: 34
TPSA: 189.17 NumAromaticRings: 2

Unique Aglycone
AD03790
Formula: C7H14O5

Smiles:
OCC1(O)CC(O)C(O)C(O)C1
HBA: 5 RingCount: 1
HBD: 5 FractionCSP3: 1.0
AlogP: -2.41 Num_rotatable_bonds: 1
MolWt: 178.18 Num_heavy_atoms: 12
TPSA: 101.15 NumAromaticRings: 0
AD05941
Formula: C9H7ONS

Smiles:
NC(=O)c1ccc2ccsc2c1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 2.0 Num_rotatable_bonds: 1
MolWt: 177.23 Num_heavy_atoms: 12
TPSA: 43.09 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O