Glycoside
GD005247
Name:
NoneFormula:
C24H23O5N5Smiles:
OC[C@@H]1OC(n2cnc3c(NCC4c5ccccc5Oc5ccccc54)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCC2c3ccccc3Oc3ccccc32)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 461.48 | Num_heavy_atoms: | 34 |
| TPSA: | 134.78 | NumAromaticRings: | 4 |
Unique Aglycone
AD04486
Formula: C19H14ON5
Smiles:
C1=Nc2c(ncnc2NCC2c3ccccc3Oc3ccccc32)[N]1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 328.36 | Num_heavy_atoms: | 25 |
| TPSA: | 73.5 | NumAromaticRings: | 3 |
