Glycoside
...
GD036052

Name:
None

Formula:
C26H29O11N3S

Smiles:
CC(=O)OC[C@@H]1O[C@H](NC(=S)NN=C(C)c2cc3ccccc3oc2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=NNC(N)=S)c1cc2ccccc2oc1=O.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: 0.42
AlogP: 1.06 Num_rotatable_bonds: 8
MolWt: 591.6 Num_heavy_atoms: 41
TPSA: 181.06 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
AD22773
Formula: C12H11O2N3S

Smiles:
CC(=NNC(N)=S)c1cc2ccccc2oc1=O
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.08
AlogP: 1.35 Num_rotatable_bonds: 2
MolWt: 261.31 Num_heavy_atoms: 18
TPSA: 80.62 NumAromaticRings: 2

Sugarmoiety
SD00012

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