Glycoside
...
GD109056

Name:
None

Formula:
C26H32O11NCl

Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)CCCOc2ccc(Cl)cc2C)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1cc(Cl)ccc1OCCCC(N)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 1 FractionCSP3: 0.56
AlogP: 2.01 Num_rotatable_bonds: 11
MolWt: 557.98 Num_heavy_atoms: 38
TPSA: 152.76 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
AD44365
Formula: C12H14O2NCl

Smiles:
Cc1cc(Cl)ccc1OCCCC(N)=O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.36
AlogP: 2.29 Num_rotatable_bonds: 5
MolWt: 227.69 Num_heavy_atoms: 15
TPSA: 52.32 NumAromaticRings: 1

Sugarmoiety
SD00889

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