Glycoside
...
GD101541

Name:
None

Formula:
C21H27O11N3

Smiles:
CCOC(=O)c1ncncc1N[C@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CCOC(=O)c1ncncc1N.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 1 FractionCSP3: 0.57
AlogP: 0.15 Num_rotatable_bonds: 9
MolWt: 497.46 Num_heavy_atoms: 35
TPSA: 178.54 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
AD27900
Formula: C7H9O2N3

Smiles:
CCOC(=O)c1ncncc1N
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.29
AlogP: 0.24 Num_rotatable_bonds: 2
MolWt: 167.17 Num_heavy_atoms: 12
TPSA: 78.1 NumAromaticRings: 1

Sugarmoiety
SD00215

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