Glycoside
GD017036
Name:
IZUMINOSIDE AFormula:
C19H18O7N2Smiles:
C[C@@H]1O[C@H](Oc2cccc3nc4c(C(=O)O)cccc4nc23)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(O)c1cccc2nc3c(O)cccc3nc12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 386.36 | Num_heavy_atoms: | 28 |
| TPSA: | 142.23 | NumAromaticRings: | 3 |
Unique Aglycone
AD12203
Formula: C13H8O3N2
Smiles:
O=C(O)c1cccc2nc3c(O)cccc3nc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 240.22 | Num_heavy_atoms: | 18 |
| TPSA: | 83.31 | NumAromaticRings: | 3 |
