Glycoside
...
GD127430

Name:
Gpl-9I

Formula:
C95H164O34N4

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(OC(C)=O)C(OC)C4OC)C(O)C3O)C(OC)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)C3OC)C(O)C2O)OC(C)C(OC(C)=O)C1OC

Other Identifiers

Properties
HBA: 38 RingCount: 7
HBD: 13 FractionCSP3: 0.87
AlogP: 9.31 Num_rotatable_bonds: 61
MolWt: 1906.35 Num_heavy_atoms: 133
TPSA: 521.94 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
SD06774

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)C3OC)C(O)C2O)OC(C)C(OC(C)=O)C1OC