Glycoside
...
GD027065

Name:
None

Formula:
C37H44O17N2

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)c4ccc(-c5ccc(O)cc5)cc4)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)c2ccc(-c3ccc(O)cc3)cc2)O1.COc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 11 FractionCSP3: 0.43
AlogP: -2.17 Num_rotatable_bonds: 15
MolWt: 788.76 Num_heavy_atoms: 56
TPSA: 303.49 NumAromaticRings: 3

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
AD17813
Formula: C25H30O11N2

Smiles:
COC1(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CNC(=O)c2ccc(-c3ccc(O)cc3)cc2)O1
HBA: 13 RingCount: 3
HBD: 8 FractionCSP3: 0.4
AlogP: -1.43 Num_rotatable_bonds: 10
MolWt: 534.52 Num_heavy_atoms: 38
TPSA: 215.11 NumAromaticRings: 2

Sugarmoiety
SD00017

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