Glycoside
...
GD023793

Name:
None

Formula:
C39H65O18N

Smiles:
CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1C[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C[C@H]1O[C@H](CC1CCCCC1)C(=O)O

Aglycone:
CC(C)(C)OC(=O)C1CC(O)C(OC(CC2CCCCC2)C(=O)O)CC1C(=O)OC(C)(C)C

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 4
HBD: 8 FractionCSP3: 0.9
AlogP: -0.34 Num_rotatable_bonds: 14
MolWt: 835.94 Num_heavy_atoms: 58
TPSA: 286.53 NumAromaticRings: 0

Unique Aglycone
AD15971
Formula: C25H42O8

Smiles:
CC(C)(C)OC(=O)C1CC(O)C(OC(CC2CCCCC2)C(=O)O)CC1C(=O)OC(C)(C)C
HBA: 8 RingCount: 2
HBD: 2 FractionCSP3: 0.88
AlogP: 3.87 Num_rotatable_bonds: 7
MolWt: 470.6 Num_heavy_atoms: 33
TPSA: 119.36 NumAromaticRings: 0

Sugarmoiety
SD00222

CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O