Glycoside
GD039703
Name:
adenylated norborneneFormula:
C25H36O10N7PSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)OC(=O)[C@@H](N)CCCCNC(=O)OC[C@@H]2C[C@H]3C=C[C@@H]2C3)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OC(=O)C(N)CCCCNC(=O)OCC1CC2C=CC1C2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 13 |
| MolWt: | 625.58 | Num_heavy_atoms: | 43 |
| TPSA: | 256.49 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD24511
Formula: C16H27O7N2P
Smiles:
COP(=O)(O)OC(=O)C(N)CCCCNC(=O)OCC1CC2C=CC1C2| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 10 |
| MolWt: | 390.37 | Num_heavy_atoms: | 26 |
| TPSA: | 137.18 | NumAromaticRings: | 0 |
