Glycoside
GD001150
Name:
NoneFormula:
C16H26O8N3PSmiles:
O=c1ccn(C[C@@H]2O[C@H](COP(=O)(O)CCN3CCCC3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)CCN1CCCC1.Cn1ccc(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 419.37 | Num_heavy_atoms: | 28 |
| TPSA: | 154.32 | 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 |
AD01199
Formula: C7H16O3NP
Smiles:
COP(=O)(O)CCN1CCCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 193.18 | Num_heavy_atoms: | 12 |
| TPSA: | 49.77 | NumAromaticRings: | 0 |
