Glycoside
GD024249
Name:
NoneFormula:
C27H28O9N5PSmiles:
NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(NCC(=O)OCc3ccccc3)Oc3cccc4ccccc34)[C@H](O)[C@H]2O)n1Aglycone:
COP(=O)(NCC(=O)OCc1ccccc1)Oc1cccc2ccccc12.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 12 |
| MolWt: | 597.52 | Num_heavy_atoms: | 42 |
| TPSA: | 197.35 | NumAromaticRings: | 4 |
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 |
AD16204
Formula: C20H20O5NP
Smiles:
COP(=O)(NCC(=O)OCc1ccccc1)Oc1cccc2ccccc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 385.36 | Num_heavy_atoms: | 27 |
| TPSA: | 73.86 | NumAromaticRings: | 3 |
