Glycoside
...
GD095405

Name:
None

Formula:
C18H23O11N3

Smiles:
COC(=O)CNc1cn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)[nH]c1=O

Aglycone:
COC(=O)CNc1c[nH]c(=O)[nH]c1=O.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 2 FractionCSP3: 0.56
AlogP: -1.55 Num_rotatable_bonds: 8
MolWt: 457.39 Num_heavy_atoms: 32
TPSA: 181.32 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
AD40727
Formula: C7H9O4N3

Smiles:
COC(=O)CNc1c[nH]c(=O)[nH]c1=O
HBA: 7 RingCount: 1
HBD: 3 FractionCSP3: 0.29
AlogP: -1.35 Num_rotatable_bonds: 3
MolWt: 199.17 Num_heavy_atoms: 14
TPSA: 104.05 NumAromaticRings: 1

Sugarmoiety
SD00105

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