Glycoside
...
GD002330

Name:
None

Formula:
C27H34O10N4S

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

Aglycone:
CC(C)CN1C(=O)C(=NNC(N)=S)c2ccccc21.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.52
AlogP: 0.94 Num_rotatable_bonds: 9
MolWt: 606.65 Num_heavy_atoms: 42
TPSA: 171.16 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
AD02234
Formula: C13H16ON4S

Smiles:
CC(C)CN1C(=O)C(=NNC(N)=S)c2ccccc21
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.31
AlogP: 1.23 Num_rotatable_bonds: 3
MolWt: 276.37 Num_heavy_atoms: 19
TPSA: 70.72 NumAromaticRings: 1

Sugarmoiety
SD00012

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