Glycoside
...
GD097510

Name:
None

Formula:
C21H28O10N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cncc(C(=O)N(C)C)n2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CN(C)C(=O)c1cncc(N)n1.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 1 FractionCSP3: 0.57
AlogP: -0.33 Num_rotatable_bonds: 8
MolWt: 496.47 Num_heavy_atoms: 35
TPSA: 172.55 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
AD27788
Formula: C7H10ON4

Smiles:
CN(C)C(=O)c1cncc(N)n1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.29
AlogP: -0.24 Num_rotatable_bonds: 1
MolWt: 166.18 Num_heavy_atoms: 12
TPSA: 72.11 NumAromaticRings: 1

Sugarmoiety
SD00889

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