Glycoside
...
GD031296

Name:
None

Formula:
C29H34O12NCl

Smiles:
CCCN1C(=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:
CCCN1C(=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: 0.57
AlogP: 1.76 Num_rotatable_bonds: 11
MolWt: 612.03 Num_heavy_atoms: 42
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
AD20175
Formula: C15H16O3NCl

Smiles:
CCCN1C(=O)C(O)(CC(C)=O)c2cc(Cl)ccc21
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.43
AlogP: 2.26 Num_rotatable_bonds: 4
MolWt: 281.74 Num_heavy_atoms: 19
TPSA: 57.61 NumAromaticRings: 1

Sugarmoiety
SD00012

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