Glycoside
...
GD027324

Name:
None

Formula:
C40H72O12N2

Smiles:
C#C[C@@]1(O)[C@H](C)O[C@H](O[C@H]2[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](O)[C@@H](C)N(C)C[C@@H](C)C[C@](C)(O)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@H]2C)C[C@]1(C)OC

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

Sugarmoiety:
C#CC1(O)C(C)OC(O)CC1(C)OC

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 5 FractionCSP3: 0.93
AlogP: 1.9 Num_rotatable_bonds: 7
MolWt: 773.02 Num_heavy_atoms: 54
TPSA: 180.08 NumAromaticRings: 0

Unique Aglycone
AD00728
Formula: C30H58O9N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
HBA: 11 RingCount: 2
HBD: 5 FractionCSP3: 0.97
AlogP: 0.98 Num_rotatable_bonds: 4
MolWt: 590.8 Num_heavy_atoms: 41
TPSA: 152.39 NumAromaticRings: 0

Sugarmoiety
SD02770

C#CC1(O)C(C)OC(O)CC1(C)OC