Glycoside
GD016065
Name:
NoneFormula:
C27H31O4N5Smiles:
Nc1nc(C[C@@H]2O[C@H](COCC=Cc3ccccc3)[C@H](O)[C@H]2O)nc(NC2Cc3ccccc3C2)n1Aglycone:
COCC=Cc1ccccc1.Cc1nc(N)nc(NC2Cc3ccccc3C2)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 489.58 | Num_heavy_atoms: | 36 |
| TPSA: | 135.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD02537
Formula: C13H15N5
Smiles:
Cc1nc(N)nc(NC2Cc3ccccc3C2)n1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 241.3 | Num_heavy_atoms: | 18 |
| TPSA: | 76.72 | NumAromaticRings: | 2 |
AD11610
Formula: C10H12O
Smiles:
COCC=Cc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 148.2 | Num_heavy_atoms: | 11 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
