Glycoside
...
GD149184

Name:
benzyl 4-[2-(2-{[3-(acetyloxy)-6-(benzyloxy)-5-acetamido-2-(octadecylcarbamoyl)oxan-4-yl]oxy}propanamido)propanamido]-4-carbamoylbutanoate

Formula:
C53H81O12N5

Smiles:
CCCCCCCCCCCCCCCCCCN=C(O)C1OC(OCc2ccccc2)C(N=C(C)O)C(OC(C)C(O)=NC(C)C(O)=NC(CCC(=O)OCc2ccccc2)C(=N)O)C1OC(C)=O

Aglycone:
CC(O)C(O)=NC(C)C(O)=NC(CCC(=O)OCc1ccccc1)C(=N)O.CCCCCCCCCCCCCCCCCCN=CO.OCc1ccccc1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(N=C(C)O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 3
HBD: 6 FractionCSP3: 0.64
AlogP: 10.93 Num_rotatable_bonds: 35
MolWt: 980.25 Num_heavy_atoms: 70
TPSA: 254.73 NumAromaticRings: 2

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD56411
Formula: C19H39ON

Smiles:
CCCCCCCCCCCCCCCCCCN=CO
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.95
AlogP: 6.83 Num_rotatable_bonds: 17
MolWt: 297.53 Num_heavy_atoms: 21
TPSA: 32.59 NumAromaticRings: 0
AD59656
Formula: C18H25O6N3

Smiles:
CC(O)C(O)=NC(C)C(O)=NC(CCC(=O)OCc1ccccc1)C(=N)O
HBA: 9 RingCount: 1
HBD: 5 FractionCSP3: 0.44
AlogP: 2.1 Num_rotatable_bonds: 10
MolWt: 379.41 Num_heavy_atoms: 27
TPSA: 155.79 NumAromaticRings: 1

Sugarmoiety
SD08517

CC(=O)OC1C(O)OC(O)C(N=C(C)O)C1O