Glycoside
...
GD099048

Name:
None

Formula:
C20H31O8N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](O)[C@H](n2cc(C3CC[NH+](C)CC3)nn2)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.C[NH+]1CCC(C2=C[N]N=N2)CC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.75
AlogP: -1.64 Num_rotatable_bonds: 6
MolWt: 455.49 Num_heavy_atoms: 32
TPSA: 143.51 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
AD29073
Formula: C8H14N4

Smiles:
C[NH+]1CCC(C2=C[N]N=N2)CC1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.75
AlogP: -0.26 Num_rotatable_bonds: 1
MolWt: 166.23 Num_heavy_atoms: 12
TPSA: 43.26 NumAromaticRings: 0

Sugarmoiety
SD00013

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