Glycoside
...
GD117545

Name:
None

Formula:
C64H110O25N2

Smiles:
CC(=O)OC1COC(OC2C(OC(CC(C)C)C(O)CCCCCCCC(=O)CCCCCCCCCCCCC(O)=NCCCCCN(C)C)OCC(O)C2OC2OCC(OC3OCC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(O)C2O)C(O)C1OC(C)=O

Aglycone:
CC(C)CC(O)C(O)CCCCCCCC(=O)CCCCCCCCCCCCC(O)=NCCCCCN(C)C

Sugarmoiety:
CC(=O)OC1COC(OC2C(O)OCC(O)C2OC2OCC(OC3OCC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(O)C2O)C(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 27 RingCount: 4
HBD: 6 FractionCSP3: 0.89
AlogP: 5.13 Num_rotatable_bonds: 43
MolWt: 1307.57 Num_heavy_atoms: 91
TPSA: 359.39 NumAromaticRings: 0

Unique Aglycone
AD46875
Formula: C34H68O4N2

Smiles:
CC(C)CC(O)C(O)CCCCCCCC(=O)CCCCCCCCCCCCC(O)=NCCCCCN(C)C
HBA: 6 RingCount: 0
HBD: 3 FractionCSP3: 0.94
AlogP: 8.42 Num_rotatable_bonds: 30
MolWt: 568.93 Num_heavy_atoms: 40
TPSA: 93.36 NumAromaticRings: 0

Sugarmoiety
SD05080

CC(=O)OC1COC(OC2C(O)OCC(O)C2OC2OCC(OC3OCC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(O)C2O)C(O)C1OC(C)=O