Glycoside
GD117700
Name:
Epothilone C9 3-Α-D-ArabinofuranosideFormula:
C31H47O10NSSmiles:
Cc1nc(C=C(CO)C2CC=CCCCC(C)C(O)C(C)C(=O)C(C)(C)C(OC3OC(CO)C(O)C3O)CC(=O)O2)cs1Aglycone:
Cc1nc(C=C(CO)C2CC=CCCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O2)cs1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 625.78 | Num_heavy_atoms: | 43 |
| TPSA: | 175.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD46967
Formula: C26H39O6NS
Smiles:
Cc1nc(C=C(CO)C2CC=CCCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O2)cs1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 493.67 | Num_heavy_atoms: | 34 |
| TPSA: | 116.95 | NumAromaticRings: | 1 |
