Glycoside
GD079112
Name:
NoneFormula:
C10H11O8N2ISmiles:
O=C(O)[C@H](O)[C@@H]1O[C@H](n2cc(I)c(=O)[nH]c2=O)[C@@H](O)[C@H]1OAglycone:
O=C(O)CO.O=c1[nH]cc(I)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 414.11 | Num_heavy_atoms: | 21 |
| TPSA: | 162.08 | 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 |
AD02329
Formula: C2H4O3
Smiles:
O=C(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 76.05 | Num_heavy_atoms: | 5 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
