Glycoside
...
GD004330

Name:
None

Formula:
C26H28O11N3

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cc(C#Cc3cccc[n+]3C)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.C[n+]1ccccc1C#Cc1c[nH]c(=O)[nH]c1=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 1 FractionCSP3: 0.42
AlogP: -0.98 Num_rotatable_bonds: 6
MolWt: 558.52 Num_heavy_atoms: 40
TPSA: 173.17 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
AD03798
Formula: C12H10O2N3

Smiles:
C[n+]1ccccc1C#Cc1c[nH]c(=O)[nH]c1=O
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.08
AlogP: -0.71 Num_rotatable_bonds: 0
MolWt: 228.23 Num_heavy_atoms: 17
TPSA: 69.6 NumAromaticRings: 2

Sugarmoiety
SD00012

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