Glycoside
...
GD016537

Name:
None

Formula:
C22H24O9N2

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2ccc(=O)n(Cc3ccccc3)c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1cc[nH]c(=O)n1Cc1ccccc1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 0 FractionCSP3: 0.41
AlogP: 0.38 Num_rotatable_bonds: 7
MolWt: 460.44 Num_heavy_atoms: 33
TPSA: 132.13 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
AD03251
Formula: C11H10O2N2

Smiles:
O=c1cc[nH]c(=O)n1Cc1ccccc1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.09
AlogP: 0.58 Num_rotatable_bonds: 2
MolWt: 202.21 Num_heavy_atoms: 15
TPSA: 54.86 NumAromaticRings: 2

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O