Glycoside
...
GD101395

Name:
None

Formula:
C21H29O10N3

Smiles:
CCCOc1nccnc1N[C@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CCCOc1nccnc1N.COC(C)=O

Sugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 1 FractionCSP3: 0.62
AlogP: 0.76 Num_rotatable_bonds: 10
MolWt: 483.47 Num_heavy_atoms: 34
TPSA: 161.47 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
AD25717
Formula: C7H11ON3

Smiles:
CCCOc1nccnc1N
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.43
AlogP: 0.85 Num_rotatable_bonds: 3
MolWt: 153.18 Num_heavy_atoms: 11
TPSA: 61.03 NumAromaticRings: 1

Sugarmoiety
SD00215

CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O