Glycoside
...
GD036017

Name:
None

Formula:
C26H32O10N4S

Smiles:
CC(=O)OC[C@@H]1O[C@H](NC(=S)NN=C2C(=O)Nc3ccc(C(C)C)cc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(C)c1ccc2c(c1)C(=NNC(N)=S)C(=O)N2.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: 3 FractionCSP3: 0.5
AlogP: 1.01 Num_rotatable_bonds: 8
MolWt: 592.63 Num_heavy_atoms: 41
TPSA: 179.95 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
AD22755
Formula: C12H14ON4S

Smiles:
CC(C)c1ccc2c(c1)C(=NNC(N)=S)C(=O)N2
HBA: 5 RingCount: 2
HBD: 4 FractionCSP3: 0.25
AlogP: 1.3 Num_rotatable_bonds: 2
MolWt: 262.34 Num_heavy_atoms: 18
TPSA: 79.51 NumAromaticRings: 1

Sugarmoiety
SD00012

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