Glycoside
...
GD128062

Name:
Gpl-25

Formula:
C93H161O33N5

Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)=NC(Cc1ccccc1)C(O)=NC(C(O)=NC(C)C(O)=NC(C)COC1OC(C)C(OC)C(OC)C1O)C(C)OC1OC(C)C(O)C(O)C1OC1OC(C)C(O)C(OC2OC(C)C(OC3OC(C(=O)O)C(OC4OC(C)C(N=C(C)O)C(O)C4OC)C(O)C3O)C(O)C2OC)C1O

Aglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)=NC(Cc1ccccc1)C(O)=NC(C(O)=NC(C)C(O)=NC(C)CO)C(C)O

Sugarmoiety:
COC1C(C)OC(O)C(O)C1OC.COC1C(OC2C(C(=O)O)OC(OC3C(C)OC(OC4C(O)C(C)OC(OC5C(O)OC(C)C(O)C5O)C4O)C(OC)C3O)C(O)C2O)OC(C)C(N=C(C)O)C1O

Other Identifiers

Properties
HBA: 38 RingCount: 7
HBD: 16 FractionCSP3: 0.87
AlogP: 8.41 Num_rotatable_bonds: 59
MolWt: 1877.31 Num_heavy_atoms: 131
TPSA: 550.23 NumAromaticRings: 1

Unique Aglycone
AD46810
Formula: C51H92O7N4

Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)=NC(Cc1ccccc1)C(O)=NC(C(O)=NC(C)C(O)=NC(C)CO)C(C)O
HBA: 11 RingCount: 1
HBD: 7 FractionCSP3: 0.8
AlogP: 12.64 Num_rotatable_bonds: 41
MolWt: 873.32 Num_heavy_atoms: 62
TPSA: 191.05 NumAromaticRings: 1

Sugarmoiety
SD06875

COC1C(C)OC(O)C(O)C1OC.COC1C(OC2C(C(=O)O)OC(OC3C(C)OC(OC4C(O)C(C)OC(OC5C(O)OC(C)C(O)C5O)C4O)C(OC)C3O)C(O)C2O)OC(C)C(N=C(C)O)C1O