Glycoside
...
GD100870

Name:
None

Formula:
C19H24O8N2S2

Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@H](CC(=O)O)Sc2nc3ccccc3s2)[C@@H](O)[C@H](O)[C@@H]1O

Aglycone:
O=C(O)CC(Sc1nc2ccccc2s1)C(=O)NCCO

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 5 FractionCSP3: 0.53
AlogP: 0.19 Num_rotatable_bonds: 9
MolWt: 472.54 Num_heavy_atoms: 31
TPSA: 158.44 NumAromaticRings: 2

Unique Aglycone
AD42617
Formula: C13H14O4N2S2

Smiles:
O=C(O)CC(Sc1nc2ccccc2s1)C(=O)NCCO
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.31
AlogP: 1.34 Num_rotatable_bonds: 7
MolWt: 326.4 Num_heavy_atoms: 21
TPSA: 99.52 NumAromaticRings: 2

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O