Glycoside
...
GD001505

Name:
None

Formula:
C36H44O6N2

Smiles:
NCc1ccc(COC(COCc2ccccc2)C(O)C(O)C(COCc2ccccc2)OCc2ccc(CN)cc2)cc1

Aglycone:
Cc1ccc(CN)cc1.Cc1ccc(CN)cc1.Cc1ccccc1.Cc1ccccc1

Sugarmoiety:
OOCC(OO)C(O)C(O)C(COO)OO

Other Identifiers

Properties
HBA: 8 RingCount: 4
HBD: 6 FractionCSP3: 0.33
AlogP: 4.23 Num_rotatable_bonds: 19
MolWt: 600.76 Num_heavy_atoms: 44
TPSA: 129.42 NumAromaticRings: 4

Unique Aglycone
AD00274
Formula: C7H8

Smiles:
Cc1ccccc1
HBA: 0 RingCount: 1
HBD: 0 FractionCSP3: 0.14
AlogP: 2.0 Num_rotatable_bonds: 0
MolWt: 92.14 Num_heavy_atoms: 7
TPSA: 0.0 NumAromaticRings: 1
AD01504
Formula: C8H11N

Smiles:
Cc1ccc(CN)cc1
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.25
AlogP: 1.45 Num_rotatable_bonds: 1
MolWt: 121.18 Num_heavy_atoms: 9
TPSA: 26.02 NumAromaticRings: 1

Sugarmoiety
SD00358

OOCC(OO)C(O)C(O)C(COO)OO