Glycoside
...
GD023869

Name:
None

Formula:
C53H100O11N4

Smiles:
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CCC(=O)OC[C@@H]1O[C@H](OC)[C@H](OC(=O)CN)[C@H](OC(=O)CN)[C@H]1OC(=O)CN

Aglycone:
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CCC(=O)OC.NCC(=O)O.NCC(=O)O.NCC(=O)O

Sugarmoiety:
COC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 1
HBD: 6 FractionCSP3: 0.91
AlogP: 9.64 Num_rotatable_bonds: 46
MolWt: 969.4 Num_heavy_atoms: 68
TPSA: 222.03 NumAromaticRings: 0

Unique Aglycone
AD00266
Formula: C41H81O3N

Smiles:
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CCC(=O)OC
HBA: 4 RingCount: 0
HBD: 0 FractionCSP3: 0.95
AlogP: 13.29 Num_rotatable_bonds: 37
MolWt: 636.1 Num_heavy_atoms: 45
TPSA: 46.61 NumAromaticRings: 0
AD07773
Formula: C2H5O2N

Smiles:
NCC(=O)O
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 0.5
AlogP: -0.97 Num_rotatable_bonds: 1
MolWt: 75.07 Num_heavy_atoms: 5
TPSA: 63.32 NumAromaticRings: 0

Sugarmoiety
SD00009

COC1OC(O)C(O)C(O)C1O