Glycoside
...
GD035991

Name:
None

Formula:
C27H56O6N2

Smiles:
CCCCCCCCCO[C@@H]1[C@H](CN)O[C@H](OCC(O)CO)[C@H](N)[C@H]1OCCCCCCCCC

Aglycone:
CCCCCCCCCO.CCCCCCCCCO.OCC(O)CO

Sugarmoiety:
NCC1OC(O)C(N)C(O)C1O

Other Identifiers

Properties
HBA: 8 RingCount: 1
HBD: 6 FractionCSP3: 1.0
AlogP: 3.64 Num_rotatable_bonds: 23
MolWt: 504.75 Num_heavy_atoms: 35
TPSA: 129.42 NumAromaticRings: 0

Unique Aglycone
AD00405
Formula: C3H8O3

Smiles:
OCC(O)CO
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: -1.67 Num_rotatable_bonds: 2
MolWt: 92.09 Num_heavy_atoms: 6
TPSA: 60.69 NumAromaticRings: 0
AD00649
Formula: C9H20O

Smiles:
CCCCCCCCCO
HBA: 1 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: 2.73 Num_rotatable_bonds: 7
MolWt: 144.26 Num_heavy_atoms: 10
TPSA: 20.23 NumAromaticRings: 0

Sugarmoiety
SD00112

NCC1OC(O)C(N)C(O)C1O