Glycoside
...
GD037565

Name:
None

Formula:
C23H25O7N3S

Smiles:
Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCc3cn(-c4ccccc4C(=O)O)nn3)[C@H]2O)cc1

Aglycone:
Cc1ccc(S)cc1.O=C(O)c1ccccc1-n1cc(CO)nn1

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

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 4 FractionCSP3: 0.35
AlogP: 1.39 Num_rotatable_bonds: 8
MolWt: 487.53 Num_heavy_atoms: 34
TPSA: 147.16 NumAromaticRings: 3

Unique Aglycone
AD17646
Formula: C7H8S

Smiles:
Cc1ccc(S)cc1
HBA: 0 RingCount: 1
HBD: 0 FractionCSP3: 0.14
AlogP: 2.28 Num_rotatable_bonds: 0
MolWt: 124.21 Num_heavy_atoms: 8
TPSA: 0.0 NumAromaticRings: 1
AD21688
Formula: C10H9O3N3

Smiles:
O=C(O)c1ccccc1-n1cc(CO)nn1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.1
AlogP: 0.46 Num_rotatable_bonds: 3
MolWt: 219.2 Num_heavy_atoms: 16
TPSA: 88.24 NumAromaticRings: 2

Sugarmoiety
SD00003

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