Glycoside
GD088531
Name:
NoneFormula:
C13H18O6N3ISmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2nccnc2I)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1nccnc1ISugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 439.21 | Num_heavy_atoms: | 23 |
| TPSA: | 134.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD38730
Formula: C7H8O2N3I
Smiles:
O=C(NCCO)c1nccnc1I| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 293.06 | Num_heavy_atoms: | 13 |
| TPSA: | 75.11 | NumAromaticRings: | 1 |
