Glycoside
GD008889
Name:
NoneFormula:
C15H21O12N4P2Smiles:
Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])OC(C(=O)N3CCCC3)P(=O)([O-])[O-])[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)([O-])OC(C(=O)N1CCCC1)P(=O)([O-])[O-].Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -4.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 511.3 | Num_heavy_atoms: | 33 |
| TPSA: | 252.69 | NumAromaticRings: | 1 |
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 |
AD07042
Formula: C7H12O8NP2
Smiles:
COP(=O)([O-])OC(C(=O)N1CCCC1)P(=O)([O-])[O-]| HBA: | 9 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.86 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 300.12 | Num_heavy_atoms: | 18 |
| TPSA: | 142.09 | NumAromaticRings: | 0 |
