Glycoside
GD090292
Name:
NoneFormula:
C21H29O7N2ClSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@H](c2ccccc2Cl)N2CCOCC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C(c1ccccc1Cl)N1CCOCC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 444.91 | Num_heavy_atoms: | 30 |
| TPSA: | 120.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD39304
Formula: C15H19O3N2Cl
Smiles:
O=C(NCCO)C(c1ccccc1Cl)N1CCOCC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 298.77 | Num_heavy_atoms: | 20 |
| TPSA: | 61.8 | NumAromaticRings: | 1 |
