Glycoside
...
GD154778

Name:
6-(2-{[2-carboxy-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxy}-1,3-dihydroxypropyl)-2-{[2-({4,5-dihydroxy-6-[(3-hydroxy-2-icosanamidooctadec-4-en-1-yl)oxy]-2-(hydroxymethyl)oxan-3-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxyoxane-2-carboxylic acid

Formula:
C72H129O29N3

Smiles:
CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(CO)OC4(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O4)O3)C2O)C(O)C1O)N=C(O)CCCCCCCCCCCCCCCCCCC

Aglycone:
CC(O)=NC1C(O)CC(OC(CO)C(O)C2OC(O)(C(=O)O)CC(O)C2N=C(C)O)(C(=O)O)OC1C(O)C(O)CO.CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCC

Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 4
HBD: 19 FractionCSP3: 0.9
AlogP: 3.64 Num_rotatable_bonds: 54
MolWt: 1500.82 Num_heavy_atoms: 104
TPSA: 529.43 NumAromaticRings: 0

Unique Aglycone
AD44904
Formula: C22H36O17N2

Smiles:
CC(O)=NC1C(O)CC(OC(CO)C(O)C2OC(O)(C(=O)O)CC(O)C2N=C(C)O)(C(=O)O)OC1C(O)C(O)CO
HBA: 19 RingCount: 2
HBD: 12 FractionCSP3: 0.82
AlogP: -5.02 Num_rotatable_bonds: 12
MolWt: 600.53 Num_heavy_atoms: 41
TPSA: 329.31 NumAromaticRings: 0
AD45723
Formula: C38H75O3N

Smiles:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCC
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 0.92
AlogP: 11.96 Num_rotatable_bonds: 34
MolWt: 594.02 Num_heavy_atoms: 42
TPSA: 73.05 NumAromaticRings: 0

Sugarmoiety
SD00078

OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O