Glycoside
...
GD003895

Name:
None

Formula:
C42H52O17N2

Smiles:
CC(=O)N[C@@H]1[C@H](O)C[C@](O[C@H]2[C@H](O)[C@@H](O[C@@H]3CCO[C@H](COc4ccc(-c5ccccc5)cc4)[C@H]3O)O[C@@H](CO)[C@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccccc1

Aglycone:
CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CNC(=O)c1ccccc1.OC1CCOC(COc2ccc(-c3ccccc3)cc2)C1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 6
HBD: 10 FractionCSP3: 0.5
AlogP: -1.32 Num_rotatable_bonds: 16
MolWt: 856.88 Num_heavy_atoms: 61
TPSA: 292.49 NumAromaticRings: 3

Unique Aglycone
AD03468
Formula: C18H24O9N2

Smiles:
CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CNC(=O)c1ccccc1
HBA: 11 RingCount: 2
HBD: 7 FractionCSP3: 0.5
AlogP: -2.43 Num_rotatable_bonds: 7
MolWt: 412.4 Num_heavy_atoms: 29
TPSA: 185.65 NumAromaticRings: 1
AD03469
Formula: C18H20O4

Smiles:
OC1CCOC(COc2ccc(-c3ccccc3)cc2)C1O
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.33
AlogP: 2.24 Num_rotatable_bonds: 4
MolWt: 300.35 Num_heavy_atoms: 22
TPSA: 58.92 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O