Glycoside
...
GD026004

Name:
None

Formula:
C39H68O13N2

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OCC#N)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OCC#N)CC(C)C(=O)C(C)C(O)C1(C)O

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 4 FractionCSP3: 0.92
AlogP: 2.33 Num_rotatable_bonds: 9
MolWt: 772.97 Num_heavy_atoms: 54
TPSA: 206.7 NumAromaticRings: 0

Unique Aglycone
AD17175
Formula: C31H54O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OCC#N)CC(C)C(=O)C(C)C(O)C1(C)O
HBA: 12 RingCount: 2
HBD: 4 FractionCSP3: 0.9
AlogP: 1.41 Num_rotatable_bonds: 6
MolWt: 614.78 Num_heavy_atoms: 43
TPSA: 179.01 NumAromaticRings: 0

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O