Glycoside
GD039423
Name:
prfmn cofactor and crotonic acid adductFormula:
C25H35O9N4PSmiles:
Cc1cc2c3c(c1C)C(C)(C)C[C@H]1C[C@H](C)[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)CC1CC(C)C4(C(=O)NC(=O)N=C4N2C)N31Sugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 566.55 | Num_heavy_atoms: | 39 |
| TPSA: | 192.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD24403
Formula: C21H26O2N4
Smiles:
Cc1cc2c3c(c1C)C(C)(C)CC1CC(C)C4(C(=O)NC(=O)N=C4N2C)N31| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 366.47 | Num_heavy_atoms: | 27 |
| TPSA: | 65.01 | NumAromaticRings: | 1 |
