Glycoside
...
GD101468

Name:
None

Formula:
C21H28O11N2

Smiles:
COc1ccc(N[C@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)nc1OC

Aglycone:
COC(C)=O.COc1ccc(N)nc1OC

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 1 FractionCSP3: 0.57
AlogP: 0.59 Num_rotatable_bonds: 9
MolWt: 484.46 Num_heavy_atoms: 34
TPSA: 157.81 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
AD25680
Formula: C7H10O2N2

Smiles:
COc1ccc(N)nc1OC
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.29
AlogP: 0.68 Num_rotatable_bonds: 2
MolWt: 154.17 Num_heavy_atoms: 11
TPSA: 57.37 NumAromaticRings: 1

Sugarmoiety
SD00215

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