Glycoside
...
GD095448

Name:
None

Formula:
C19H24O10N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](O)[C@H](n2cc(CN3C(=O)CCC3=O)nn2)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1CCC(=O)N1CC1=C[N]N=N1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 1 FractionCSP3: 0.63
AlogP: -1.39 Num_rotatable_bonds: 7
MolWt: 468.42 Num_heavy_atoms: 33
TPSA: 176.45 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
AD28740
Formula: C7H7O2N4

Smiles:
O=C1CCC(=O)N1CC1=C[N]N=N1
HBA: 6 RingCount: 2
HBD: 0 FractionCSP3: 0.43
AlogP: -0.04 Num_rotatable_bonds: 2
MolWt: 179.16 Num_heavy_atoms: 13
TPSA: 76.2 NumAromaticRings: 0

Sugarmoiety
SD00013

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