Glycoside
...
GD001064

Name:
None

Formula:
C37H46O16N2

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)CNCc4ccc(-c5ccccc5O)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)CNCc2ccc(-c3ccccc3O)cc2)O1.COc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 11 FractionCSP3: 0.46
AlogP: -1.81 Num_rotatable_bonds: 16
MolWt: 774.77 Num_heavy_atoms: 55
TPSA: 286.42 NumAromaticRings: 3

Unique Aglycone
AD01110
Formula: C25H32O10N2

Smiles:
COC1(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CNCc2ccc(-c3ccccc3O)cc2)O1
HBA: 12 RingCount: 3
HBD: 8 FractionCSP3: 0.44
AlogP: -1.08 Num_rotatable_bonds: 11
MolWt: 520.54 Num_heavy_atoms: 37
TPSA: 198.04 NumAromaticRings: 2
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

Sugarmoiety
SD00017

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