Glycoside
GD025647
Name:
NoneFormula:
C14H24O10N3PSmiles:
O=c1ccn(C[C@@H]2O[C@H](COP(=O)(O)CCNC(O)CO)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)CCNC(O)CO.Cn1ccc(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | -3.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 425.33 | Num_heavy_atoms: | 28 |
| TPSA: | 203.57 | 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 |
AD16984
Formula: C5H14O5NP
Smiles:
COP(=O)(O)CCNC(O)CO| HBA: | 6 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 199.14 | Num_heavy_atoms: | 12 |
| TPSA: | 99.02 | NumAromaticRings: | 0 |
