Glycoside
GD001921
Name:
NoneFormula:
C17H28O10N3PSmiles:
O=c1ccn(C[C@@H]2O[C@H](COP(=O)(O)CCCN3C[C@H](O)[C@H](O)C3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)CCCN1CC(O)C(O)C1.Cn1ccc(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | -3.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 465.4 | Num_heavy_atoms: | 31 |
| TPSA: | 194.78 | 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 |
AD01868
Formula: C8H18O5NP
Smiles:
COP(=O)(O)CCCN1CC(O)C(O)C1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 239.21 | Num_heavy_atoms: | 15 |
| TPSA: | 90.23 | NumAromaticRings: | 0 |
