Glycoside
GD102503
Name:
NoneFormula:
C22H29O7N2ClSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C1CCN(C(=O)c2ccccc2Cl)CC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 456.92 | Num_heavy_atoms: | 31 |
| TPSA: | 128.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD43385
Formula: C16H19O3N2Cl
Smiles:
O=C(NCCO)C1CCN(C(=O)c2ccccc2Cl)CC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 310.78 | Num_heavy_atoms: | 21 |
| TPSA: | 69.64 | NumAromaticRings: | 1 |
