Glycoside
GD034850
Name:
NoneFormula:
C27H27O4N6ClSmiles:
CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)NCCC(c2ccccc2)c2ccccc2)[C@H](O)[C@H]1OAglycone:
CNc1nc(Cl)nc2c1N=C[N]2.O=CNCCC(c1ccccc1)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 522.99 | Num_heavy_atoms: | 37 |
| TPSA: | 134.42 | NumAromaticRings: | 4 |
Unique Aglycone
AD01840
Formula: C7H5N5Cl
Smiles:
CNc1nc(Cl)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 182.59 | Num_heavy_atoms: | 12 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD21330
Formula: C16H17ON
Smiles:
O=CNCCC(c1ccccc1)c1ccccc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 239.32 | Num_heavy_atoms: | 18 |
| TPSA: | 29.1 | NumAromaticRings: | 2 |
