Glycoside
GD011991
Name:
NoneFormula:
C21H25O10N4PSmiles:
COC(=O)[C@H](NP(=O)(O)OC[C@@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H]1O)c1c[nH]c2ccccc12Aglycone:
COC(=O)C(NP(=O)(O)OC)c1c[nH]c2ccccc12.Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 524.42 | Num_heavy_atoms: | 36 |
| TPSA: | 205.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD09075
Formula: C12H15O5N2P
Smiles:
COC(=O)C(NP(=O)(O)OC)c1c[nH]c2ccccc12| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 298.24 | Num_heavy_atoms: | 20 |
| TPSA: | 100.65 | NumAromaticRings: | 2 |
