Glycoside
...
GD124372

Name:
None

Formula:
C62H98O27N2

Smiles:
CC(C)=CC(=O)CC(C)C1CC(=O)C2=C3CCC4C(C)(C)C(OC5OCC(OC6OC(CO)C(O)C(O)C6N=C(C)O)C(O)C5OC5OC(COC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5N=C(C)O)CCC4(C)C3CCC21C

Aglycone:
CC(C)=CC(=O)CC(C)C1CC(=O)C2=C3CCC4C(C)(C)C(O)CCC4(C)C3CCC21C

Sugarmoiety:
CC(O)=NC1C(OC2COC(O)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3N=C(C)O)C2O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 29 RingCount: 9
HBD: 15 FractionCSP3: 0.87
AlogP: -1.82 Num_rotatable_bonds: 20
MolWt: 1303.45 Num_heavy_atoms: 91
TPSA: 454.61 NumAromaticRings: 0

Unique Aglycone
AD50238
Formula: C29H44O3

Smiles:
CC(C)=CC(=O)CC(C)C1CC(=O)C2=C3CCC4C(C)(C)C(O)CCC4(C)C3CCC21C
HBA: 3 RingCount: 4
HBD: 1 FractionCSP3: 0.79
AlogP: 6.45 Num_rotatable_bonds: 4
MolWt: 440.67 Num_heavy_atoms: 32
TPSA: 54.37 NumAromaticRings: 0

Sugarmoiety
SD04546

CC(O)=NC1C(OC2COC(O)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3N=C(C)O)C2O)OC(CO)C(O)C1O