Glycoside
GD114544
Name:
Epothilone B 3-Α-D- ArabinofuranosideFormula:
C32H49O10NSSmiles:
CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(OC2OC(CO)C(O)C2O)CC(=O)O1Aglycone:
CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 639.81 | Num_heavy_atoms: | 44 |
| TPSA: | 168.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD45127
Formula: C27H41O6NS
Smiles:
CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 507.69 | Num_heavy_atoms: | 35 |
| TPSA: | 109.25 | NumAromaticRings: | 1 |
