Glycoside
...
GD034709

Name:
None

Formula:
C30H36O12NCl

Smiles:
CCCCN1C(=O)C(O)(CC(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c2cc(Cl)ccc21

Aglycone:
CCCCN1C(=O)C(O)(CC(C)=O)c2cc(Cl)ccc21.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.59
AlogP: 2.15 Num_rotatable_bonds: 12
MolWt: 626.06 Num_heavy_atoms: 43
TPSA: 172.04 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
AD22033
Formula: C16H18O3NCl

Smiles:
CCCCN1C(=O)C(O)(CC(C)=O)c2cc(Cl)ccc21
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.47
AlogP: 2.65 Num_rotatable_bonds: 5
MolWt: 295.77 Num_heavy_atoms: 20
TPSA: 57.61 NumAromaticRings: 1

Sugarmoiety
SD00012

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