Glycoside
GD002355
Name:
NoneFormula:
C11H14O10N2PISmiles:
O=C(O)CP(=O)(O)OC[C@@H]1OC(n2cc(I)c(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)CC(=O)O.O=c1[nH]cc(I)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 492.12 | Num_heavy_atoms: | 25 |
| TPSA: | 188.38 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD02255
Formula: C3H7O5P
Smiles:
COP(=O)(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 154.06 | Num_heavy_atoms: | 9 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
