Glycoside
GD031993
Name:
NoneFormula:
C14H24O9N3PSmiles:
O=c1ccn(C[C@@H]2O[C@H](COP(=O)(O)CCNCCO)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)CCNCCO.Cn1ccc(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -3.19 | Num_rotatable_bonds: | 10 |
| MolWt: | 409.33 | Num_heavy_atoms: | 27 |
| TPSA: | 183.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD00607
Formula: C5H6O2N2
Smiles:
Cn1ccc(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 54.86 | NumAromaticRings: | 1 |
AD20557
Formula: C5H14O4NP
Smiles:
COP(=O)(O)CCNCCO| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 183.14 | Num_heavy_atoms: | 11 |
| TPSA: | 78.79 | NumAromaticRings: | 0 |
