Glycoside
...
GD103838

Name:
None

Formula:
C22H26O9N2

Smiles:
CC#Cc1cncc(N[C@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1

Aglycone:
CC#Cc1cncc(N)c1.COC(C)=O

Sugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 0.95 Num_rotatable_bonds: 7
MolWt: 462.46 Num_heavy_atoms: 33
TPSA: 139.35 NumAromaticRings: 1

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
AD25182
Formula: C8H8N2

Smiles:
CC#Cc1cncc(N)c1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 1.04 Num_rotatable_bonds: 0
MolWt: 132.17 Num_heavy_atoms: 10
TPSA: 38.91 NumAromaticRings: 1

Sugarmoiety
SD00215

CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O