Glycoside
...
GD100389

Name:
None

Formula:
C21H27O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2nc3[nH]c(C)cc3c[nH+]2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1cc2c[nH+]c(N)nc2[nH]1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 3 FractionCSP3: 0.52
AlogP: 0.18 Num_rotatable_bonds: 7
MolWt: 479.47 Num_heavy_atoms: 34
TPSA: 169.28 NumAromaticRings: 2

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
AD42422
Formula: C7H9N4

Smiles:
Cc1cc2c[nH+]c(N)nc2[nH]1
HBA: 4 RingCount: 2
HBD: 4 FractionCSP3: 0.14
AlogP: 0.27 Num_rotatable_bonds: 0
MolWt: 149.18 Num_heavy_atoms: 11
TPSA: 68.84 NumAromaticRings: 2

Sugarmoiety
SD00889

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