Glycoside
...
GD110630

Name:
None

Formula:
C30H28O11N2

Smiles:
CC(=O)OC[C@@H]1O[C@@H](n2c(-c3ccccc3)cc(-c3ccco3)c(C#N)c2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.N#Cc1c(-c2ccco2)cc(-c2ccccc2)[nH]c1=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 0 FractionCSP3: 0.33
AlogP: 2.9 Num_rotatable_bonds: 8
MolWt: 592.56 Num_heavy_atoms: 43
TPSA: 173.36 NumAromaticRings: 3

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
AD08190
Formula: C16H10O2N2

Smiles:
N#Cc1c(-c2ccco2)cc(-c2ccccc2)[nH]c1=O
HBA: 4 RingCount: 3
HBD: 1 FractionCSP3: 0.0
AlogP: 3.17 Num_rotatable_bonds: 2
MolWt: 262.27 Num_heavy_atoms: 20
TPSA: 69.79 NumAromaticRings: 3

Sugarmoiety
SD00012

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