Glycoside
GD013775
Name:
NoneFormula:
C29H27O4N5Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NC(c4ccccc4)(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC(c2ccccc2)(c2ccccc2)c2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 509.57 | Num_heavy_atoms: | 38 |
| TPSA: | 125.55 | NumAromaticRings: | 5 |
Unique Aglycone
AD10226
Formula: C24H18N5
Smiles:
C1=Nc2c(ncnc2NC(c2ccccc2)(c2ccccc2)c2ccccc2)[N]1| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.04 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 376.44 | Num_heavy_atoms: | 29 |
| TPSA: | 64.27 | NumAromaticRings: | 4 |
