Glycoside
GD029664
Name:
NoneFormula:
C18H23O4N5Smiles:
OC[C@@H]1OC(n2cnc3c(NCC4CC5C=CC4C5)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=CC2CC1CC2CNc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 373.41 | Num_heavy_atoms: | 27 |
| TPSA: | 125.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD11645
Formula: C13H14N5
Smiles:
C1=CC2CC1CC2CNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 240.29 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
