Glycoside
...
GD097592

Name:
None

Formula:
C23H31O7N3S

Smiles:
O=S(=O)(c1ccc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc1)N1CCC(Cc2ccccc2)CC1

Aglycone:
Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cn1

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

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 5 FractionCSP3: 0.52
AlogP: -0.06 Num_rotatable_bonds: 7
MolWt: 493.58 Num_heavy_atoms: 34
TPSA: 152.45 NumAromaticRings: 2

Unique Aglycone
AD41536
Formula: C17H21O2N3S

Smiles:
Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cn1
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.35
AlogP: 2.31 Num_rotatable_bonds: 4
MolWt: 331.44 Num_heavy_atoms: 23
TPSA: 76.29 NumAromaticRings: 2

Sugarmoiety
SD00003

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