Glycoside
...
GD092897

Name:
None

Formula:
C21H21O10N

Smiles:
CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@@H]1n1cc(C(=O)C(=O)O)c2ccccc21

Aglycone:
O=C(O)C(=O)c1c[nH]c2ccccc12

Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 1 FractionCSP3: 0.38
AlogP: 1.23 Num_rotatable_bonds: 6
MolWt: 447.4 Num_heavy_atoms: 32
TPSA: 147.43 NumAromaticRings: 2

Unique Aglycone
AD40376
Formula: C10H7O3N

Smiles:
O=C(O)C(=O)c1c[nH]c2ccccc12
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.44 Num_rotatable_bonds: 2
MolWt: 189.17 Num_heavy_atoms: 14
TPSA: 70.16 NumAromaticRings: 2

Sugarmoiety
SD00194

CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O