Glycoside
...
GD018153

Name:
TYLVALOSIN TARTRATE

Formula:
C53H87O19N

Smiles:
CC[C@@H]1OC(=O)C[C@H](OC(C)=O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H](CC=O)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OC

Aglycone:
CC(C)CC(=O)O.CCC1OC(=O)CC(OC(C)=O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1CO

Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1.COC1C(O)OC(C)C(O)C1OC

Other Identifiers

Properties
HBA: 20 RingCount: 4
HBD: 3 FractionCSP3: 0.83
AlogP: 4.0 Num_rotatable_bonds: 17
MolWt: 1042.27 Num_heavy_atoms: 73
TPSA: 250.81 NumAromaticRings: 0

Unique Aglycone
AD00281
Formula: C5H10O2

Smiles:
CC(C)CC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 1.12 Num_rotatable_bonds: 2
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD05561
Formula: C25H38O8

Smiles:
CCC1OC(=O)CC(OC(C)=O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1CO
HBA: 8 RingCount: 1
HBD: 2 FractionCSP3: 0.68
AlogP: 2.55 Num_rotatable_bonds: 5
MolWt: 466.57 Num_heavy_atoms: 33
TPSA: 127.2 NumAromaticRings: 0

Sugarmoiety
SD00097

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1.COC1C(O)OC(C)C(O)C1OC