Glycoside
...
GD107330

Name:
None

Formula:
C22H21O11N2Cl3

Smiles:
COc1ccn([C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(=O)C(Cl)(Cl)Cl)c(=O)n1

Aglycone:
COC(C)=O.COc1cc[nH]c(=O)n1.O=C(O)C(Cl)(Cl)Cl

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 0 FractionCSP3: 0.58
AlogP: 0.86 Num_rotatable_bonds: 7
MolWt: 559.74 Num_heavy_atoms: 35
TPSA: 158.55 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
AD22551
Formula: C5H6O2N2

Smiles:
COc1cc[nH]c(=O)n1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.2
AlogP: -0.22 Num_rotatable_bonds: 1
MolWt: 126.11 Num_heavy_atoms: 9
TPSA: 54.98 NumAromaticRings: 1
AD44299
Formula: C5HO2Cl3

Smiles:
O=C(O)C(Cl)(Cl)Cl
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.5
AlogP: 1.44 Num_rotatable_bonds: 0
MolWt: 163.39 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD00013

CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=O