Glycoside
...
GD013931

Name:
None

Formula:
C52H96O14N2

Smiles:
CCCCCCCCCCCC(O)CC(=O)NC1C(OC(=O)C[C@H](NC(=O)CC(O)CCCCCCCCCCC)C(=O)O)OC(CO)C(O)C1OC(=O)CC(O)CCCCCCCCCCC

Aglycone:
CCCCCCCCCCCC(O)CC(=O)NC(CC(=O)O)C(=O)O.CCCCCCCCCCCC(O)CC(=O)O.CCCCCCCCCCCC(O)CC(N)=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 1
HBD: 8 FractionCSP3: 0.9
AlogP: 7.98 Num_rotatable_bonds: 44
MolWt: 973.34 Num_heavy_atoms: 68
TPSA: 258.48 NumAromaticRings: 0

Unique Aglycone
AD00507
Formula: C14H28O3

Smiles:
CCCCCCCCCCCC(O)CC(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.93
AlogP: 3.74 Num_rotatable_bonds: 12
MolWt: 244.37 Num_heavy_atoms: 17
TPSA: 57.53 NumAromaticRings: 0
AD00508
Formula: C14H29O2N

Smiles:
CCCCCCCCCCCC(O)CC(N)=O
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 0.93
AlogP: 3.14 Num_rotatable_bonds: 12
MolWt: 243.39 Num_heavy_atoms: 17
TPSA: 63.32 NumAromaticRings: 0
AD10328
Formula: C18H33O6N

Smiles:
CCCCCCCCCCCC(O)CC(=O)NC(CC(=O)O)C(=O)O
HBA: 7 RingCount: 0
HBD: 4 FractionCSP3: 0.83
AlogP: 2.7 Num_rotatable_bonds: 16
MolWt: 359.46 Num_heavy_atoms: 25
TPSA: 123.93 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O