Glycoside
...
GD098936

Name:
None

Formula:
C22H31O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ncc(C)c(C3C[NH2+]C3)n2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1cnc(N)nc1C1C[NH2+]C1

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 3 FractionCSP3: 0.64
AlogP: -1.06 Num_rotatable_bonds: 8
MolWt: 495.51 Num_heavy_atoms: 35
TPSA: 168.85 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
AD42101
Formula: C8H13N4

Smiles:
Cc1cnc(N)nc1C1C[NH2+]C1
HBA: 4 RingCount: 2
HBD: 4 FractionCSP3: 0.5
AlogP: -0.97 Num_rotatable_bonds: 1
MolWt: 165.22 Num_heavy_atoms: 12
TPSA: 68.41 NumAromaticRings: 1

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O