Glycoside
GD029791
Name:
NoneFormula:
C27H25O4N5Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NC4CC4c4ccccc4)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
C(#Cc1nc2c(c(NC3CC3c3ccccc3)n1)N=C[N]2)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 483.53 | Num_heavy_atoms: | 36 |
| TPSA: | 125.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD19339
Formula: C22H16N5
Smiles:
C(#Cc1nc2c(c(NC3CC3c3ccccc3)n1)N=C[N]2)c1ccccc1| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 350.41 | Num_heavy_atoms: | 27 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
