Glycoside
...
GD099968

Name:
None

Formula:
C22H28O11N2

Smiles:
COc1cccc(NC(=O)N[C@@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c1

Aglycone:
COC(C)=O.COc1cccc(NC(N)=O)c1

Sugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 0.9 Num_rotatable_bonds: 8
MolWt: 496.47 Num_heavy_atoms: 35
TPSA: 164.79 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
AD42325
Formula: C8H10O2N2

Smiles:
COc1cccc(NC(N)=O)c1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.12
AlogP: 1.19 Num_rotatable_bonds: 2
MolWt: 166.18 Num_heavy_atoms: 12
TPSA: 64.35 NumAromaticRings: 1

Sugarmoiety
SD00215

CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O