Glycoside
...
GD016188

Name:
None

Formula:
C29H34O15N4S

Smiles:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=NN(C(C)=O)S(=O)(=O)c1ccc(C=C2NC(=O)N(C)C2=O)cc1)OC(C)=O

Aglycone:
C=NN(C(C)=O)S(=O)(=O)c1ccc(C=C2NC(=O)N(C)C2=O)cc1

Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)OC(C)=O

Other Identifiers

Properties
HBA: 19 RingCount: 2
HBD: 1 FractionCSP3: 0.41
AlogP: 0.02 Num_rotatable_bonds: 14
MolWt: 710.67 Num_heavy_atoms: 49
TPSA: 247.72 NumAromaticRings: 1

Unique Aglycone
AD11690
Formula: C14H14O5N4S

Smiles:
C=NN(C(C)=O)S(=O)(=O)c1ccc(C=C2NC(=O)N(C)C2=O)cc1
HBA: 9 RingCount: 2
HBD: 1 FractionCSP3: 0.14
AlogP: 0.36 Num_rotatable_bonds: 4
MolWt: 350.36 Num_heavy_atoms: 24
TPSA: 116.22 NumAromaticRings: 1

Sugarmoiety
SD00291

CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)OC(C)=O