Glycoside
...
GD033649

Name:
None

Formula:
C60H112O21N2

Smiles:
CCCCCCCCCCCCCCCCCCOC(=O)[C@H](COC(=O)CON(C)[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC

Aglycone:
CCCCCCCCCCCCCCCCCCOC(=O)C(COC(=O)CONC)NC(=O)CCCCCCCCCCCCCCCCC

Sugarmoiety:
OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 3
HBD: 11 FractionCSP3: 0.95
AlogP: 4.39 Num_rotatable_bonds: 48
MolWt: 1197.55 Num_heavy_atoms: 83
TPSA: 342.62 NumAromaticRings: 0

Unique Aglycone
AD15761
Formula: C42H82O6N2

Smiles:
CCCCCCCCCCCCCCCCCCOC(=O)C(COC(=O)CONC)NC(=O)CCCCCCCCCCCCCCCCC
HBA: 8 RingCount: 0
HBD: 2 FractionCSP3: 0.93
AlogP: 11.23 Num_rotatable_bonds: 40
MolWt: 711.13 Num_heavy_atoms: 50
TPSA: 102.96 NumAromaticRings: 0

Sugarmoiety
SD00317

OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O