Glycoside
GD004876
Name:
NoneFormula:
C30H25O5N4ClSmiles:
Oc1ncnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)[C@H](O)[C@H]1OAglycone:
COC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1.Oc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 545.0 | Num_heavy_atoms: | 39 |
| TPSA: | 122.75 | NumAromaticRings: | 5 |
Unique Aglycone
AD00956
Formula: C5H3ON4
Smiles:
Oc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
AD04204
Formula: C21H17OCl
Smiles:
COC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 5.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 308.81 | Num_heavy_atoms: | 22 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
