Glycoside
GD098164
Name:
NoneFormula:
C21H28O7N3ClSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)C2CCN(C(=O)c3cc(Cl)ccn3)CC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C1CCN(C(=O)c2cc(Cl)ccn2)CC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 457.91 | Num_heavy_atoms: | 31 |
| TPSA: | 141.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD41764
Formula: C15H18O3N3Cl
Smiles:
O=C(NCCO)C1CCN(C(=O)c2cc(Cl)ccn2)CC1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 311.77 | Num_heavy_atoms: | 21 |
| TPSA: | 82.53 | NumAromaticRings: | 1 |
