Glycoside
...
GD029966

Name:
None

Formula:
C31H34O10N4S

Smiles:
CC(=O)OC[C@@H]1O[C@H](NC(=S)NN=C2C(=O)N(CCc3ccccc3)c3ccccc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=S)NN=C1C(=O)N(CCc2ccccc2)c2ccccc21

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 2 FractionCSP3: 0.39
AlogP: 1.53 Num_rotatable_bonds: 10
MolWt: 654.7 Num_heavy_atoms: 46
TPSA: 171.16 NumAromaticRings: 2

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
AD19433
Formula: C17H16ON4S

Smiles:
NC(=S)NN=C1C(=O)N(CCc2ccccc2)c2ccccc21
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.12
AlogP: 1.81 Num_rotatable_bonds: 4
MolWt: 324.41 Num_heavy_atoms: 23
TPSA: 70.72 NumAromaticRings: 2

Sugarmoiety
SD00012

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