Glycoside
GD026953
Name:
NoneFormula:
C20H24O5N6Smiles:
Cc1ccc(OC[C@@H]2O[C@H](n3c(N)c(C(N)=O)c4c(N)ncnc43)[C@@](C)(O)[C@H]2O)cc1Aglycone:
COc1ccc(C)cc1.NC(=O)C1=C(N)[N]c2ncnc(N)c21Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 428.45 | Num_heavy_atoms: | 31 |
| TPSA: | 184.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD01981
Formula: C8H10O
Smiles:
COc1ccc(C)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD11808
Formula: C7H7ON6
Smiles:
NC(=O)C1=C(N)[N]c2ncnc(N)c21| HBA: | 7 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 191.17 | Num_heavy_atoms: | 14 |
| TPSA: | 135.01 | NumAromaticRings: | 1 |
