Glycoside
...
GD029033

Name:
None

Formula:
C24H28O10N4S

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

Aglycone:
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: 0.46
AlogP: -0.09 Num_rotatable_bonds: 7
MolWt: 564.57 Num_heavy_atoms: 39
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
AD18923
Formula: C10H10ON4S

Smiles:
CN1C(=O)C(=NNC(N)=S)c2ccccc21
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.1
AlogP: 0.2 Num_rotatable_bonds: 1
MolWt: 234.28 Num_heavy_atoms: 16
TPSA: 70.72 NumAromaticRings: 1

Sugarmoiety
SD00012

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