Glycoside
...
GD101544

Name:
None

Formula:
C22H29O10N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cn(C3CCC3)c(=O)cn2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1cn(C2CCC2)c(=O)cn1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.64
AlogP: 0.46 Num_rotatable_bonds: 8
MolWt: 495.49 Num_heavy_atoms: 35
TPSA: 161.35 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
AD28504
Formula: C8H11ON3

Smiles:
Nc1cn(C2CCC2)c(=O)cn1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 0.55 Num_rotatable_bonds: 1
MolWt: 165.2 Num_heavy_atoms: 12
TPSA: 60.91 NumAromaticRings: 1

Sugarmoiety
SD00889

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