Glycoside
GD090421
Name:
NoneFormula:
C22H31O8NSmiles:
Cc1cccc(C2(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CCC3(CC2)OCCO3)c1Aglycone:
Cc1cccc(C2(CN)CCC3(CC2)OCCO3)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 437.49 | Num_heavy_atoms: | 31 |
| TPSA: | 145.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD39345
Formula: C16H23O2N
Smiles:
Cc1cccc(C2(CN)CCC3(CC2)OCCO3)c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 261.36 | Num_heavy_atoms: | 19 |
| TPSA: | 44.48 | NumAromaticRings: | 1 |
