Glycoside
GD039425
Name:
prfmn cofactor and pentafluorocinnamic acid adductFormula:
C30H34O9N4F5PSmiles:
Cc1cc2c3c(c1C)C(C)(C)C[C@@H](CCc1c(F)c(F)c(F)c(F)c1F)[n+]3c1c(=O)[nH]c(=O)[nH]c1[n+]2C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)OAglycone:
Cc1cc2c3c(c1C)C(C)(C)CC(CCc1c(F)c(F)c(F)c(F)c1F)[n+]3c1c(=O)[nH]c(=O)[nH]c1[n+]2CSugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 10 |
| MolWt: | 720.59 | Num_heavy_atoms: | 49 |
| TPSA: | 200.93 | NumAromaticRings: | 4 |
Unique Aglycone
AD24405
Formula: C26H25O2N4F5
Smiles:
Cc1cc2c3c(c1C)C(C)(C)CC(CCc1c(F)c(F)c(F)c(F)c1F)[n+]3c1c(=O)[nH]c(=O)[nH]c1[n+]2C| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 520.5 | Num_heavy_atoms: | 37 |
| TPSA: | 73.48 | NumAromaticRings: | 4 |
