Glycoside
GD038006
Name:
adenylyl-2"-tobramycinFormula:
C28H49O15N10PSmiles:
NC[C@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](N)[C@H]3OP(=O)(O)OC[C@H]3O[C@H](n4cnc5c(N)ncnc54)[C@@H](O)[C@H]3O)[C@@H]2O)[C@@H](N)C[C@H]1OAglycone:
COP(=O)(O)O.NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
NC1OC(O)OC(CO)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 6 |
| HBD: | 19 | FractionCSP3: | 0.82 |
| AlogP: | -7.11 | Num_rotatable_bonds: | 12 |
| MolWt: | 796.73 | Num_heavy_atoms: | 54 |
| TPSA: | 423.01 | 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 |
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD02993
Formula: C12H26O5N4
Smiles:
NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -4.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.36 | Num_heavy_atoms: | 21 |
| TPSA: | 183.23 | NumAromaticRings: | 0 |
