Glycoside
GD016997
Name:
NoneFormula:
C22H28O6N4Smiles:
COc1ccnc(CNc2ccc3c(c2)nc(C)n3C[C@H](O)[C@@H]2O[C@H](O)[C@H](O)[C@H]2O)c1CAglycone:
COc1ccnc(CNc2ccc3c(c2)nc(C)n3CCO)c1CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 444.49 | Num_heavy_atoms: | 32 |
| TPSA: | 142.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD12178
Formula: C18H22O2N4
Smiles:
COc1ccnc(CNc2ccc3c(c2)nc(C)n3CCO)c1C| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 326.4 | Num_heavy_atoms: | 24 |
| TPSA: | 72.2 | NumAromaticRings: | 3 |
