Glycoside
...
GD099877

Name:
None

Formula:
C21H24O10N2

Smiles:
CC(=O)N[C@H]1[C@@H](Oc2nc3ccccc3o2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Oc1nc2ccccc2o1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.48
AlogP: 0.86 Num_rotatable_bonds: 7
MolWt: 464.43 Num_heavy_atoms: 33
TPSA: 152.49 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
AD42284
Formula: C7H5O2N

Smiles:
Oc1nc2ccccc2o1
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 1.53 Num_rotatable_bonds: 0
MolWt: 135.12 Num_heavy_atoms: 10
TPSA: 46.26 NumAromaticRings: 2

Sugarmoiety
SD00131

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