Glycoside
...
GD089452

Name:
None

Formula:
C20H32O6N3S

Smiles:
C[NH+]1CCN(CCC(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)CC1

Aglycone:
C[NH+]1CCN(CCC(=O)Nc2ccc(S)cc2)CC1

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

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 6 FractionCSP3: 0.65
AlogP: -2.26 Num_rotatable_bonds: 7
MolWt: 442.56 Num_heavy_atoms: 30
TPSA: 126.93 NumAromaticRings: 1

Unique Aglycone
AD39021
Formula: C14H22ON3S

Smiles:
C[NH+]1CCN(CCC(=O)Nc2ccc(S)cc2)CC1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 0.13 Num_rotatable_bonds: 4
MolWt: 280.42 Num_heavy_atoms: 19
TPSA: 36.78 NumAromaticRings: 1

Sugarmoiety
SD00003

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