Glycoside
...
GD004084

Name:
None

Formula:
C38H48O16N2

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(-c5ccc(OC)cc5)cc4)O3)[C@H](O)[C@H](O)[C@H]2O)cc1

Aglycone:
COc1ccc(-c2ccc(CNCC(O)C(O)C3OC(OC)(C(=O)O)CC(O)C3NC(=O)CO)cc2)cc1.COc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 10 FractionCSP3: 0.47
AlogP: -1.51 Num_rotatable_bonds: 17
MolWt: 788.8 Num_heavy_atoms: 56
TPSA: 275.42 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
AD03621
Formula: C26H34O10N2

Smiles:
COc1ccc(-c2ccc(CNCC(O)C(O)C3OC(OC)(C(=O)O)CC(O)C3NC(=O)CO)cc2)cc1
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.46
AlogP: -0.77 Num_rotatable_bonds: 12
MolWt: 534.56 Num_heavy_atoms: 38
TPSA: 187.04 NumAromaticRings: 2

Sugarmoiety
SD00017

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