Glycoside
...
GD103444

Name:
None

Formula:
C22H30O9N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cnc3c(c2)C[NH2+]CC3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1cnc2c(c1)C[NH2+]CC2

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 3 FractionCSP3: 0.59
AlogP: -0.8 Num_rotatable_bonds: 7
MolWt: 480.49 Num_heavy_atoms: 34
TPSA: 155.96 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
AD43797
Formula: C8H12N3

Smiles:
Nc1cnc2c(c1)C[NH2+]CC2
HBA: 3 RingCount: 2
HBD: 4 FractionCSP3: 0.38
AlogP: -0.72 Num_rotatable_bonds: 0
MolWt: 150.2 Num_heavy_atoms: 11
TPSA: 55.52 NumAromaticRings: 1

Sugarmoiety
SD00889

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