Glycoside
GD033021
Name:
NoneFormula:
C15H19O14N3P3BrSmiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)Nc3ccccc3)[C@H](O)[C@H]2O)cc1BrAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)Nc1ccccc1.O=c1[nH]cc(Br)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 638.15 | Num_heavy_atoms: | 36 |
| TPSA: | 256.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD04715
Formula: C4H3O2N2Br
Smiles:
O=c1[nH]cc(Br)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 190.98 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD21107
Formula: C7H12O9NP3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)Nc1ccccc1| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 347.09 | Num_heavy_atoms: | 20 |
| TPSA: | 151.62 | NumAromaticRings: | 1 |
