Glycoside
GD088517
Name:
NoneFormula:
C12H18O6N3ISmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2[nH]ncc2I)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1[nH]ncc1ISugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 427.2 | Num_heavy_atoms: | 22 |
| TPSA: | 136.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD38722
Formula: C6H8O2N3I
Smiles:
O=C(NCCO)c1[nH]ncc1I| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 281.05 | Num_heavy_atoms: | 12 |
| TPSA: | 78.01 | NumAromaticRings: | 1 |
