Glycoside
...
GD100270

Name:
None

Formula:
C21H30O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2nc(C)cc(N(C)C)n2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1cc(N(C)C)nc(N)n1

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 1 FractionCSP3: 0.62
AlogP: 0.35 Num_rotatable_bonds: 8
MolWt: 482.49 Num_heavy_atoms: 34
TPSA: 155.48 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
AD25480
Formula: C7H12N4

Smiles:
Cc1cc(N(C)C)nc(N)n1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.43
AlogP: 0.43 Num_rotatable_bonds: 1
MolWt: 152.2 Num_heavy_atoms: 11
TPSA: 55.04 NumAromaticRings: 1

Sugarmoiety
SD00889

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