Glycoside
GD095036
Name:
NoneFormula:
C24H34O9N2Smiles:
COCCNC(=O)C[C@@H]1CC2(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2)Oc2ccccc21Aglycone:
COCCNC(=O)CC1CC2(CCNCC2)Oc2ccccc21Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 494.54 | Num_heavy_atoms: | 35 |
| TPSA: | 165.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD40598
Formula: C18H26O3N2
Smiles:
COCCNC(=O)CC1CC2(CCNCC2)Oc2ccccc21| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.61 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 318.42 | Num_heavy_atoms: | 23 |
| TPSA: | 59.59 | NumAromaticRings: | 1 |
