Glycoside
...
GD098351

Name:
None

Formula:
C20H29O10N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](O)[C@H](n2cc(CC(=O)OC(C)(C)C)nn2)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(C)(C)OC(=O)CC1=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: -0.15 Num_rotatable_bonds: 7
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
AD28707
Formula: C8H12O2N3

Smiles:
CC(C)(C)OC(=O)CC1=C[N]N=N1
HBA: 5 RingCount: 1
HBD: 0 FractionCSP3: 0.62
AlogP: 1.54 Num_rotatable_bonds: 2
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