Glycoside
...
GD023829

Name:
None

Formula:
C18H25O11N3

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2nnc(CO)c2CO)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.OCC1=C(CO)N=N[N]1

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 2 FractionCSP3: 0.67
AlogP: -1.48 Num_rotatable_bonds: 8
MolWt: 459.41 Num_heavy_atoms: 32
TPSA: 185.6 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
AD15989
Formula: C4H6O2N3

Smiles:
OCC1=C(CO)N=N[N]1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.5
AlogP: -0.83 Num_rotatable_bonds: 2
MolWt: 128.11 Num_heavy_atoms: 9
TPSA: 79.28 NumAromaticRings: 0

Sugarmoiety
SD00012

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