Glycoside
GD020056
Name:
NoneFormula:
C22H28O7N4Smiles:
COc1ccnc(CNc2ccc3c(c2)nc(C)n3C[C@H](O)[C@@H]2O[C@H](O)[C@H](O)[C@H]2O)c1OCAglycone:
COc1ccnc(CNc2ccc3c(c2)nc(C)n3CCO)c1OCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 460.49 | Num_heavy_atoms: | 33 |
| TPSA: | 151.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD13903
Formula: C18H22O3N4
Smiles:
COc1ccnc(CNc2ccc3c(c2)nc(C)n3CCO)c1OC| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 342.4 | Num_heavy_atoms: | 25 |
| TPSA: | 81.43 | NumAromaticRings: | 3 |
