Glycoside
...
GD120378

Name:
N-{1-[(3-acetamido-5-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-3,4-dihydroxy-16-methylheptadecan-2-yl}-2-hydroxyhexacosanamide

Formula:
C66H125O19N3

Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C(OC2OC(C)C(O)C(O)C2O)C1N=C(C)O)C(O)C(O)CCCCCCCCCCCC(C)C

Aglycone:
CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCC(C)C

Sugarmoiety:
CC(O)=NC1C(OC2C(CO)OC(O)C(N=C(C)O)C2OC2OC(C)C(O)C(O)C2O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 3
HBD: 13 FractionCSP3: 0.95
AlogP: 8.79 Num_rotatable_bonds: 50
MolWt: 1264.73 Num_heavy_atoms: 88
TPSA: 355.45 NumAromaticRings: 0

Unique Aglycone
AD48357
Formula: C44H89O5N

Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCC(C)C
HBA: 6 RingCount: 0
HBD: 5 FractionCSP3: 0.98
AlogP: 12.33 Num_rotatable_bonds: 40
MolWt: 712.2 Num_heavy_atoms: 50
TPSA: 113.51 NumAromaticRings: 0

Sugarmoiety
SD05515

CC(O)=NC1C(OC2C(CO)OC(O)C(N=C(C)O)C2OC2OC(C)C(O)C(O)C2O)OC(CO)C(O)C1O