Glycoside
GD073321
Name:
NoneFormula:
C18H26O7N2Smiles:
Cc1cccc(C2(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CCOCC2)n1Aglycone:
Cc1cccc(C2(CN)CCOCC2)n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 382.41 | Num_heavy_atoms: | 27 |
| TPSA: | 149.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD34017
Formula: C12H18ON2
Smiles:
Cc1cccc(C2(CN)CCOCC2)n1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 206.29 | Num_heavy_atoms: | 15 |
| TPSA: | 48.14 | NumAromaticRings: | 1 |
