Glycoside
GD098713
Name:
NoneFormula:
C15H18O6N2ClISmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cnc(Cl)c(I)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1cnc(Cl)c(I)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 472.66 | Num_heavy_atoms: | 24 |
| TPSA: | 121.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD41990
Formula: C9H8O2N2ClI
Smiles:
O=C(NCCO)c1cnc(Cl)c(I)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 326.52 | Num_heavy_atoms: | 14 |
| TPSA: | 62.22 | NumAromaticRings: | 1 |
