Glycoside
GD012992
Name:
NoneFormula:
C8H10O8N2PISmiles:
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](OP(=O)(O)O)O2)cc1IAglycone:
O=P(O)(O)O.O=c1[nH]cc(I)c(=O)[nH]1Sugarmoiety:
OC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 420.05 | Num_heavy_atoms: | 20 |
| TPSA: | 151.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD00569
Formula: C4H3O2N2I
Smiles:
O=c1[nH]cc(I)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 237.98 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
