Glycoside
GD006495
Name:
NoneFormula:
C23H25O5N6ClSmiles:
Cc1ccccc1CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)N2CCOCC2)[C@H](O)[C@H]1OAglycone:
Cc1ccccc1CNc1nc(Cl)nc2c1N=C[N]2.O=CN1CCOCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 488.93 | Num_heavy_atoms: | 34 |
| TPSA: | 134.86 | 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 |
AD05370
Formula: C5H9O2N
Smiles:
O=CN1CCOCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 115.13 | Num_heavy_atoms: | 8 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
