Glycoside
...
GD012278

Name:
None

Formula:
C19H23O8N5S

Smiles:
C=CCn1c(=S)n(C2OC(COC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c2nc(N)nc(O)c21

Aglycone:
C=CCn1c(=S)[nH]c2nc(N)nc(O)c21.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 3 FractionCSP3: 0.47
AlogP: 0.76 Num_rotatable_bonds: 7
MolWt: 481.49 Num_heavy_atoms: 33
TPSA: 170.02 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
AD09275
Formula: C8H9ON5S

Smiles:
C=CCn1c(=S)[nH]c2nc(N)nc(O)c21
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.12
AlogP: 0.96 Num_rotatable_bonds: 2
MolWt: 223.26 Num_heavy_atoms: 15
TPSA: 92.75 NumAromaticRings: 2

Sugarmoiety
SD00105

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