Glycoside
GD014322
Name:
NoneFormula:
C21H29O5N3Cl2Smiles:
O=C(CCCc1ccc(N(CCCl)CCCl)cc1)NN[C@@H]1OC[C@H](O)[C@H](O)[C@H]1OAglycone:
NNC(=O)CCCc1ccc(N(CCCl)CCCl)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 11 |
| MolWt: | 450.36 | Num_heavy_atoms: | 29 |
| TPSA: | 114.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD10545
Formula: C16H21ON3Cl2
Smiles:
NNC(=O)CCCc1ccc(N(CCCl)CCCl)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 318.25 | Num_heavy_atoms: | 20 |
| TPSA: | 58.36 | NumAromaticRings: | 1 |
