Glycoside
...
GD029297

Name:
None

Formula:
C39H60O21N4

Smiles:
CC(=O)N[C@@H]1[C@H](O[C@@H]2[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)O[C@H](OCc3ccccc3)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H](CO)[C@H](O)[C@H]1O

Aglycone:
OCc1ccccc1

Sugarmoiety:
CC(=O)NC1C(OCC2OC(O)C(NC(C)=O)C(OC3OC(CO)C(O)C(O)C3NC(C)=O)C2OC2OC(CO)C(O)C(O)C2NC(C)=O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 5
HBD: 13 FractionCSP3: 0.74
AlogP: -6.95 Num_rotatable_bonds: 17
MolWt: 920.92 Num_heavy_atoms: 64
TPSA: 372.31 NumAromaticRings: 1

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1

Sugarmoiety
SD01850

CC(=O)NC1C(OCC2OC(O)C(NC(C)=O)C(OC3OC(CO)C(O)C(O)C3NC(C)=O)C2OC2OC(CO)C(O)C(O)C2NC(C)=O)OC(CO)C(O)C1O