Glycoside
GD005151
Name:
NoneFormula:
C22H25O5N4ClSmiles:
CC1(C)CC(=O)C2=C(C1)N=C1NN=C([C@H](O)[C@H](O)[C@H](O)CO)N1C2c1ccc(Cl)cc1Aglycone:
CC1(C)CC(=O)C2=C(C1)N=C1NN=CN1C2c1ccc(Cl)cc1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.91 | Num_heavy_atoms: | 31 |
| TPSA: | 137.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD02399
Formula: C18H17ON4Cl
Smiles:
CC1(C)CC(=O)C2=C(C1)N=C1NN=CN1C2c1ccc(Cl)cc1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 328.8 | Num_heavy_atoms: | 23 |
| TPSA: | 57.06 | NumAromaticRings: | 1 |
