Glycoside
GD015429
Name:
NoneFormula:
C23H21O4N5Smiles:
OC[C@@H]1OC(n2cnc3c(NC4c5ccccc5-c5ccccc54)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2c3ccccc3-c3ccccc32)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 431.45 | Num_heavy_atoms: | 32 |
| TPSA: | 125.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD11215
Formula: C18H12N5
Smiles:
C1=Nc2c(ncnc2NC2c3ccccc3-c3ccccc32)[N]1| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.33 | Num_heavy_atoms: | 23 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
