Glycoside
...
GD099558

Name:
None

Formula:
C21H25O11N

Smiles:
CC(=O)N[C@@H]1[C@H](OC(=O)c2cccc(O)c2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C(O)c1cccc(O)c1

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 2 FractionCSP3: 0.48
AlogP: 0.21 Num_rotatable_bonds: 7
MolWt: 467.43 Num_heavy_atoms: 33
TPSA: 163.76 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
AD18980
Formula: C7H6O3

Smiles:
O=C(O)c1cccc(O)c1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.09 Num_rotatable_bonds: 1
MolWt: 138.12 Num_heavy_atoms: 10
TPSA: 57.53 NumAromaticRings: 1

Sugarmoiety
SD00131

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O