Glycoside
...
GD003481

Name:
None

Formula:
C25H33O11N3S

Smiles:
COc1ccc(C(C)=NNC(=S)N[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC

Aglycone:
COC(C)=O.COc1ccc(C(C)=NNC(N)=S)cc1OC

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 2 FractionCSP3: 0.52
AlogP: 0.98 Num_rotatable_bonds: 10
MolWt: 583.62 Num_heavy_atoms: 40
TPSA: 169.31 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
AD03170
Formula: C11H15O2N3S

Smiles:
COc1ccc(C(C)=NNC(N)=S)cc1OC
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.27
AlogP: 1.26 Num_rotatable_bonds: 4
MolWt: 253.33 Num_heavy_atoms: 17
TPSA: 68.87 NumAromaticRings: 1

Sugarmoiety
SD00012

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