Glycoside
GD003485
Name:
NoneFormula:
C21H23O4N6ClSmiles:
Cc1ccccc1CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)N(C)C)[C@H](O)[C@H]1OAglycone:
CN(C)C=O.Cc1ccccc1CNc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.9 | Num_heavy_atoms: | 31 |
| TPSA: | 125.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD02520
Formula: C14H11N5Cl
Smiles:
Cc1ccccc1CNc1nc(Cl)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.72 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD02639
Formula: C3H7ON
Smiles:
CN(C)C=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
