Glycoside
GD032730
Name:
NoneFormula:
C30H29O5N7Cl2Smiles:
NC(=O)C1(NC2O[C@H](CO)[C@H](O)[C@H]2O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1Aglycone:
NC(=O)C1(N)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 614.49 | Num_heavy_atoms: | 42 |
| TPSA: | 171.88 | NumAromaticRings: | 4 |
Unique Aglycone
AD20948
Formula: C25H21ON7Cl2
Smiles:
NC(=O)C1(N)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 3.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 482.38 | Num_heavy_atoms: | 33 |
| TPSA: | 115.95 | NumAromaticRings: | 4 |
