Glycoside
GD009403
Name:
NoneFormula:
C13H17O7N2ISmiles:
CCCC(=O)OC[C@@H]1O[C@H](n2c(I)cc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCCC(=O)OC.O=c1cc(I)[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.19 | Num_heavy_atoms: | 23 |
| TPSA: | 130.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD01168
Formula: C5H10O2
Smiles:
CCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD03321
Formula: C4H3O2N2I
Smiles:
O=c1cc(I)[nH]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 |
