Glycoside
GD072916
Name:
NoneFormula:
C18H26O7N2Smiles:
COc1cccc(NC2CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2)c1Aglycone:
COc1cccc(NC2CCNCC2)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 382.41 | Num_heavy_atoms: | 27 |
| TPSA: | 139.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD33913
Formula: C12H18ON2
Smiles:
COc1cccc(NC2CCNCC2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 206.29 | Num_heavy_atoms: | 15 |
| TPSA: | 33.29 | NumAromaticRings: | 1 |
