Glycoside
GD149863
Name:
"3-Propionyl-4""""-Butyryltylosin"Formula:
C53H87O19NSmiles:
CCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(CC=O)CC(C)C(=O)C=CC(C)=CC(COC4OC(C)C(O)C(OC)C4OC)C(CC)OC(=O)CC(OC(=O)CC)C3C)C(O)C2N(C)C)CC1(C)OAglycone:
CCC(=O)OC1CC(=O)OC(CC)C(CO)C=C(C)C=CC(=O)C(C)CC(CC=O)C(O)C1C.CCCC(=O)OSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 18 |
| MolWt: | 1042.27 | Num_heavy_atoms: | 73 |
| TPSA: | 250.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD00922
Formula: C4H8O2
Smiles:
CCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD49276
Formula: C26H40O8
Smiles:
CCC(=O)OC1CC(=O)OC(CC)C(CO)C=C(C)C=CC(=O)C(C)CC(CC=O)C(O)C1C| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.6 | Num_heavy_atoms: | 34 |
| TPSA: | 127.2 | NumAromaticRings: | 0 |
