Glycoside
...
GD033213

Name:
None

Formula:
C18H19O7N5

Smiles:
CC(=O)OC[C@@H]1O[C@](C#N)(c2ccc3c(N)ncnn23)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1ncnn2cccc12

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.44
AlogP: -0.14 Num_rotatable_bonds: 5
MolWt: 417.38 Num_heavy_atoms: 30
TPSA: 168.13 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
AD05072
Formula: C6H6N4

Smiles:
Nc1ncnn2cccc12
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.31 Num_rotatable_bonds: 0
MolWt: 134.14 Num_heavy_atoms: 10
TPSA: 56.21 NumAromaticRings: 2

Sugarmoiety
SD03100

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