Glycoside
...
GD121394

Name:
Lmg-2

Formula:
C64H120O23N2

Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O3)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCC(C)CC

Aglycone:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCC(C)CC

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

Other Identifiers

Properties
HBA: 25 RingCount: 3
HBD: 16 FractionCSP3: 0.95
AlogP: 4.82 Num_rotatable_bonds: 50
MolWt: 1285.66 Num_heavy_atoms: 89
TPSA: 420.85 NumAromaticRings: 0

Unique Aglycone
AD44972
Formula: C11H19O9N

Smiles:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO
HBA: 10 RingCount: 1
HBD: 7 FractionCSP3: 0.82
AlogP: -3.03 Num_rotatable_bonds: 5
MolWt: 309.27 Num_heavy_atoms: 21
TPSA: 180.27 NumAromaticRings: 0
AD48712
Formula: C41H83O5N

Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCC(C)CC
HBA: 6 RingCount: 0
HBD: 5 FractionCSP3: 0.98
AlogP: 11.16 Num_rotatable_bonds: 37
MolWt: 670.12 Num_heavy_atoms: 47
TPSA: 113.51 NumAromaticRings: 0

Sugarmoiety
SD00078

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