Glycoside
...
GD107902

Name:
None

Formula:
C27H34O12NCl

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

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

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 1 FractionCSP3: 0.58
AlogP: 1.63 Num_rotatable_bonds: 13
MolWt: 588.01 Num_heavy_atoms: 40
TPSA: 161.99 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
AD09952
Formula: C3H6O3

Smiles:
COC(=O)CO
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: -0.85 Num_rotatable_bonds: 1
MolWt: 90.08 Num_heavy_atoms: 6
TPSA: 46.53 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
SD04113

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