Glycoside
GD004545
Name:
NoneFormula:
C20H24O10N3PSmiles:
COC(=O)c1cccc([C@@H]2CCOP(=O)(OC[C@@H]3O[C@H](n4ccc(N)nc4=O)[C@H](O)[C@H]3O)O2)c1Aglycone:
COC(=O)c1cccc(C2CCOP(=O)(OC)O2)c1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 497.4 | Num_heavy_atoms: | 34 |
| TPSA: | 181.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD03955
Formula: C12H15O6P
Smiles:
COC(=O)c1cccc(C2CCOP(=O)(OC)O2)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.22 | Num_heavy_atoms: | 19 |
| TPSA: | 71.06 | NumAromaticRings: | 1 |
