Glycoside
...
GD019486

Name:
None

Formula:
C25H36O11N4

Smiles:
CC(=O)N[C@H]1[C@H](OCC(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@@H](O)[C@@H](CO)O[C@H]1OCc1ccccc1

Aglycone:
CC(NC(=O)CO)C(=O)NC(CCC(=O)O)C(N)=O.OCc1ccccc1

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 8 FractionCSP3: 0.56
AlogP: -2.49 Num_rotatable_bonds: 15
MolWt: 568.58 Num_heavy_atoms: 40
TPSA: 235.84 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
AD12942
Formula: C10H17O6N3

Smiles:
CC(NC(=O)CO)C(=O)NC(CCC(=O)O)C(N)=O
HBA: 9 RingCount: 0
HBD: 6 FractionCSP3: 0.6
AlogP: -2.68 Num_rotatable_bonds: 8
MolWt: 275.26 Num_heavy_atoms: 19
TPSA: 158.82 NumAromaticRings: 0

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O