Glycoside
...
GD107165

Name:
None

Formula:
C26H33O10N3S

Smiles:
CC(=O)OC[C@@H]1O[C@@H](NC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=S)N1CC2CC(C1)c1cccc(=O)n1C2

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 1 FractionCSP3: 0.62
AlogP: 0.23 Num_rotatable_bonds: 6
MolWt: 579.63 Num_heavy_atoms: 40
TPSA: 151.7 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD44277
Formula: C12H15ON3S

Smiles:
NC(=S)N1CC2CC(C1)c1cccc(=O)n1C2
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.5
AlogP: 0.51 Num_rotatable_bonds: 0
MolWt: 249.34 Num_heavy_atoms: 17
TPSA: 51.26 NumAromaticRings: 1

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O