Glycoside
GD000301
Name:
NoneFormula:
C20H24O9N5PSmiles:
Nc1ccn(C2O[C@H](COP(=O)(O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)(O)NC(Cc1c[nH]c2ccccc12)C(=O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 509.41 | Num_heavy_atoms: | 35 |
| TPSA: | 222.25 | NumAromaticRings: | 3 |
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 |
AD00346
Formula: C12H15O5N2P
Smiles:
COP(=O)(O)NC(Cc1c[nH]c2ccccc12)C(=O)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 298.24 | Num_heavy_atoms: | 20 |
| TPSA: | 111.65 | NumAromaticRings: | 2 |
