Glycoside
...
GD114705

Name:
None

Formula:
C56H98O20N2

Smiles:
CCCCCC(OC1OCC(OC2OCC(O)C(OC3OCC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C2O)C(O)C1O)C(CCCCCCCC(=O)CCCCCCCCCCCC(O)=NCCCCN(C)C)OC(C)=O

Aglycone:
CCCCCC(O)C(CCCCCCCC(=O)CCCCCCCCCCCC(O)=NCCCCN(C)C)OC(C)=O

Sugarmoiety:
CC(=O)OC1COC(OC2C(O)COC(OC3COC(O)C(O)C3O)C2O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 22 RingCount: 3
HBD: 5 FractionCSP3: 0.89
AlogP: 5.85 Num_rotatable_bonds: 40
MolWt: 1119.39 Num_heavy_atoms: 78
TPSA: 294.4 NumAromaticRings: 0

Unique Aglycone
AD45224
Formula: C35H68O5N2

Smiles:
CCCCCC(O)C(CCCCCCCC(=O)CCCCCCCCCCCC(O)=NCCCCN(C)C)OC(C)=O
HBA: 7 RingCount: 0
HBD: 2 FractionCSP3: 0.91
AlogP: 8.75 Num_rotatable_bonds: 31
MolWt: 596.94 Num_heavy_atoms: 42
TPSA: 99.43 NumAromaticRings: 0

Sugarmoiety
SD04439

CC(=O)OC1COC(OC2C(O)COC(OC3COC(O)C(O)C3O)C2O)C(OC(C)=O)C1OC(C)=O