Glycoside
GD016087
Name:
NoneFormula:
C12H11O5N2ISmiles:
O=c1ccn(C2O[C@H](C=CC#CI)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
C=CC#CI.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 390.13 | Num_heavy_atoms: | 20 |
| TPSA: | 104.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD07616
Formula: C4H3I
Smiles:
C=CC#CI| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 177.97 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
