Glycoside
GD012873
Name:
NoneFormula:
C28H35O10N6PSmiles:
C[C@H](NP(=O)(N[C@H](C)C(=O)OCc1ccccc1)OC[C@@H]1O[C@H](n2cnc(C(N)=O)n2)[C@H](O)[C@H]1O)C(=O)OCc1ccccc1Aglycone:
COP(=O)(NC(C)C(=O)OCc1ccccc1)NC(C)C(=O)OCc1ccccc1.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 15 |
| MolWt: | 646.59 | Num_heavy_atoms: | 45 |
| TPSA: | 226.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD00218
Formula: C3H3ON4
Smiles:
NC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
AD01703
Formula: C21H27O6N2P
Smiles:
COP(=O)(NC(C)C(=O)OCc1ccccc1)NC(C)C(=O)OCc1ccccc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 11 |
| MolWt: | 434.43 | Num_heavy_atoms: | 30 |
| TPSA: | 102.96 | NumAromaticRings: | 2 |
