Glycoside
...
GD020987

Name:
None

Formula:
C26H44O20N2

Smiles:
CCCOC(=O)[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3N)[C@H](O)[C@H]2O)[C@H](O)[C@H]1N

Aglycone:
CCCOC=O

Sugarmoiety:
NC1C(OC2C(C(=O)O)OC(OC3C(CO)OC(OC4C(O)OC(O)C(O)C4O)C(N)C3O)C(O)C2O)OCC(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 4
HBD: 14 FractionCSP3: 0.92
AlogP: -8.12 Num_rotatable_bonds: 11
MolWt: 704.63 Num_heavy_atoms: 48
TPSA: 362.32 NumAromaticRings: 0

Unique Aglycone
AD05188
Formula: C4H8O2

Smiles:
CCCOC=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.75
AlogP: 0.57 Num_rotatable_bonds: 3
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD02376

NC1C(OC2C(C(=O)O)OC(OC3C(CO)OC(OC4C(O)OC(O)C(O)C4O)C(N)C3O)C(O)C2O)OCC(O)C1O