Glycoside
GD143921
Name:
Epothilone D 3-Α-D-ArabinofuranosideFormula:
C31H47O9NSSmiles:
CC(=Cc1csc(C)n1)C1CC=CCCCC(C)C(O)C(C)C(=O)C(C)(C)C(OC2OC(CO)C(O)C2O)CC(=O)O1Aglycone:
CC(=Cc1csc(C)n1)C1CC=CCCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 609.78 | Num_heavy_atoms: | 42 |
| TPSA: | 155.64 | NumAromaticRings: | 1 |
Unique Aglycone
AD57865
Formula: C26H39O5NS
Smiles:
CC(=Cc1csc(C)n1)C1CC=CCCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.65 |
| AlogP: | 4.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 477.67 | Num_heavy_atoms: | 33 |
| TPSA: | 96.72 | NumAromaticRings: | 1 |
