Glycoside
...
GD023416

Name:
None

Formula:
C32H39O17N2Cl

Smiles:
COc1ccc(O[C@@H]2O[C@H](CO[C@@]3(C(=O)O)C[C@H](O)[C@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CNC(=O)c4cc(Cl)ccc4O)O3)[C@H](O)[C@H](O)[C@H]2O)cc1

Aglycone:
COC1(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CNC(=O)c2cc(Cl)ccc2O)O1.COc1ccc(O)cc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 4
HBD: 11 FractionCSP3: 0.52
AlogP: -3.18 Num_rotatable_bonds: 14
MolWt: 747.1 Num_heavy_atoms: 51
TPSA: 303.49 NumAromaticRings: 2

Unique Aglycone
AD01111
Formula: C7H8O2

Smiles:
COc1ccc(O)cc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.4 Num_rotatable_bonds: 1
MolWt: 124.14 Num_heavy_atoms: 9
TPSA: 29.46 NumAromaticRings: 1
AD15750
Formula: C20H25O11N2Cl

Smiles:
COC1(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CNC(=O)c2cc(Cl)ccc2O)O1
HBA: 13 RingCount: 2
HBD: 8 FractionCSP3: 0.53
AlogP: -2.45 Num_rotatable_bonds: 9
MolWt: 492.87 Num_heavy_atoms: 33
TPSA: 215.11 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O