Glycoside
GD077809
Name:
NoneFormula:
C19H21O4N5Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CCc5ccccc5C4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N2CCc3ccccc3C2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 383.41 | Num_heavy_atoms: | 28 |
| TPSA: | 116.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD12935
Formula: C14H12N5
Smiles:
C1=Nc2c(ncnc2N2CCc3ccccc3C2)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.21 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 250.28 | Num_heavy_atoms: | 19 |
| TPSA: | 55.48 | NumAromaticRings: | 2 |
