Glycoside
GD039424
Name:
prfmn cofactor and butynoic acid adductFormula:
C26H33O11N4PSmiles:
CC1=C(C(=O)O)[C@@H]2CC(C)(C)c3c(C)c(C)cc4c3N2[C@@]12C(=O)NC(=O)N=C2N4C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)OAglycone:
CC1=C(C(=O)O)C2CC(C)(C)c3c(C)c(C)cc4c3N2C12C(=O)NC(=O)N=C2N4CSugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 608.54 | Num_heavy_atoms: | 42 |
| TPSA: | 229.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD24404
Formula: C22H24O4N4
Smiles:
CC1=C(C(=O)O)C2CC(C)(C)c3c(C)c(C)cc4c3N2C12C(=O)NC(=O)N=C2N4C| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 408.46 | Num_heavy_atoms: | 30 |
| TPSA: | 102.31 | NumAromaticRings: | 1 |
