Glycoside
...
GD098357

Name:
None

Formula:
C20H29O10N3

Smiles:
CCOC(=O)C(C)(C)c1cn([C@H]2[C@@H](O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)nn1

Aglycone:
CCOC(=O)C(C)(C)C1=C[N]N=N1.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 1 FractionCSP3: 0.7
AlogP: -0.2 Num_rotatable_bonds: 8
MolWt: 471.46 Num_heavy_atoms: 33
TPSA: 165.37 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
AD28714
Formula: C8H12O2N3

Smiles:
CCOC(=O)C(C)(C)C1=C[N]N=N1
HBA: 5 RingCount: 1
HBD: 0 FractionCSP3: 0.62
AlogP: 1.4 Num_rotatable_bonds: 3
MolWt: 182.2 Num_heavy_atoms: 13
TPSA: 65.12 NumAromaticRings: 0

Sugarmoiety
SD00013

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