Glycoside
GD039419
Name:
prfmn cofactor and phenylpropiolic acid adductFormula:
C30H35O9N4PSmiles:
Cc1cc2c3c(c1C)C(C)(C)C[C@H]1C=C(c4ccccc4)[C@]4(C(=O)NC(=O)N=C4N2C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O)N31Aglycone:
Cc1cc2c3c(c1C)C(C)(C)CC1C=C(c4ccccc4)C4(C(=O)NC(=O)N=C4N2C)N31Sugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 8 |
| MolWt: | 626.6 | Num_heavy_atoms: | 44 |
| TPSA: | 192.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD24399
Formula: C26H26O2N4
Smiles:
Cc1cc2c3c(c1C)C(C)(C)CC1C=C(c4ccccc4)C4(C(=O)NC(=O)N=C4N2C)N31| HBA: | 6 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 426.52 | Num_heavy_atoms: | 32 |
| TPSA: | 65.01 | NumAromaticRings: | 2 |
