Glycoside
...
GD016763

Name:
None

Formula:
C33H46O17N2

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)CNCc4cc(OC)cc(OC)c4)O3)[C@H](O)[C@H](O)[C@H]2O)cc1

Aglycone:
COc1cc(CNCC(O)C(O)C2OC(OC)(C(=O)O)CC(O)C2NC(=O)CO)cc(OC)c1.COc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 19 RingCount: 4
HBD: 10 FractionCSP3: 0.58
AlogP: -3.17 Num_rotatable_bonds: 17
MolWt: 742.73 Num_heavy_atoms: 52
TPSA: 284.65 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
AD12029
Formula: C21H32O11N2

Smiles:
COc1cc(CNCC(O)C(O)C2OC(OC)(C(=O)O)CC(O)C2NC(=O)CO)cc(OC)c1
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.62
AlogP: -2.43 Num_rotatable_bonds: 12
MolWt: 488.49 Num_heavy_atoms: 34
TPSA: 196.27 NumAromaticRings: 1

Sugarmoiety
SD00017

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