Glycoside
...
GD101838

Name:
None

Formula:
C23H29O6N3S

Smiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)[C@@H]1CCCN(c2ccccn2)C1

Aglycone:
O=C(Nc1ccc(S)cc1)C1CCCN(c2ccccn2)C1

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

Other Identifiers

Properties
HBA: 9 RingCount: 4
HBD: 5 FractionCSP3: 0.48
AlogP: 0.83 Num_rotatable_bonds: 6
MolWt: 475.57 Num_heavy_atoms: 33
TPSA: 135.38 NumAromaticRings: 2

Unique Aglycone
AD43118
Formula: C17H19ON3S

Smiles:
O=C(Nc1ccc(S)cc1)C1CCCN(c2ccccn2)C1
HBA: 4 RingCount: 3
HBD: 1 FractionCSP3: 0.29
AlogP: 3.23 Num_rotatable_bonds: 3
MolWt: 313.43 Num_heavy_atoms: 22
TPSA: 45.23 NumAromaticRings: 2

Sugarmoiety
SD00003

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