Glycoside
...
GD118549

Name:
None

Formula:
C54H102O18N2

Smiles:
CCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(COC2(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)COC)O2)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC

Aglycone:
CCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCC.COCC(O)C(O)C1OC(OC)(C(=O)O)CC(O)C1N=C(C)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 2
HBD: 12 FractionCSP3: 0.94
AlogP: 5.84 Num_rotatable_bonds: 44
MolWt: 1067.41 Num_heavy_atoms: 74
TPSA: 330.7 NumAromaticRings: 0

Unique Aglycone
AD47419
Formula: C36H73O5N

Smiles:
CCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCC
HBA: 6 RingCount: 0
HBD: 5 FractionCSP3: 0.97
AlogP: 9.35 Num_rotatable_bonds: 33
MolWt: 599.98 Num_heavy_atoms: 42
TPSA: 113.51 NumAromaticRings: 0
AD47420
Formula: C13H23O9N

Smiles:
COCC(O)C(O)C1OC(OC)(C(=O)O)CC(O)C1N=C(C)O
HBA: 10 RingCount: 1
HBD: 5 FractionCSP3: 0.85
AlogP: -1.72 Num_rotatable_bonds: 7
MolWt: 337.32 Num_heavy_atoms: 23
TPSA: 158.27 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O