Glycoside
...
GD103454

Name:
None

Formula:
C21H29O9N2

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc(C)[nH+]c(C)c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1cc(N)cc(C)[nH+]1

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 2 FractionCSP3: 0.57
AlogP: 0.61 Num_rotatable_bonds: 7
MolWt: 453.47 Num_heavy_atoms: 32
TPSA: 140.6 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
AD43807
Formula: C7H11N2

Smiles:
Cc1cc(N)cc(C)[nH+]1
HBA: 2 RingCount: 1
HBD: 3 FractionCSP3: 0.29
AlogP: 0.7 Num_rotatable_bonds: 0
MolWt: 123.18 Num_heavy_atoms: 9
TPSA: 40.16 NumAromaticRings: 1

Sugarmoiety
SD00889

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