Glycoside
GD114625
Name:
InnovanamineFormula:
C12H17O7NSmiles:
Cc1[nH]ccc(=O)c1OC1OC(CO)C(O)C(O)C1OAglycone:
Cc1[nH]ccc(=O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 287.27 | Num_heavy_atoms: | 20 |
| TPSA: | 132.24 | NumAromaticRings: | 1 |
Unique Aglycone
AD00327
Formula: C6H7O2N
Smiles:
Cc1[nH]ccc(=O)c1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 53.09 | NumAromaticRings: | 1 |
