Glycoside
...
GD031912

Name:
None

Formula:
C49H93O13N3

Smiles:
CCCCCCCC(=O)NCCCO[C@@H]1[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.CCCCCCCC(=O)NCCCO

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

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 5 FractionCSP3: 0.96
AlogP: 4.79 Num_rotatable_bonds: 18
MolWt: 932.29 Num_heavy_atoms: 65
TPSA: 198.18 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
AD14137
Formula: C11H23O2N

Smiles:
CCCCCCCC(=O)NCCCO
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.91
AlogP: 1.85 Num_rotatable_bonds: 9
MolWt: 201.31 Num_heavy_atoms: 14
TPSA: 49.33 NumAromaticRings: 0

Sugarmoiety
SD00005

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