Glycoside
GD097718
Name:
NoneFormula:
C24H30O7N2Smiles:
O=C(NCC1CC1)C1=CC2(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2)c2ccccc21Aglycone:
O=C(NCC1CC1)C1=CC2(CCNCC2)c2ccccc21Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 458.51 | Num_heavy_atoms: | 33 |
| TPSA: | 147.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD41599
Formula: C18H22ON2
Smiles:
O=C(NCC1CC1)C1=CC2(CCNCC2)c2ccccc21| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 282.39 | Num_heavy_atoms: | 21 |
| TPSA: | 41.13 | NumAromaticRings: | 1 |
