Glycoside
GD021632
Name:
NoneFormula:
C35H23O8N4Cl3Smiles:
COc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)[C@H]1OC(=O)c1ccc(Cl)cc1Aglycone:
COC(=O)c1ccc(Cl)cc1.COc1ncnc2c1N=C[N]2.O=C(O)c1ccc(Cl)cc1.O=C(O)c1ccc(Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.19 |
| AlogP: | 6.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 697.92 | Num_heavy_atoms: | 47 |
| TPSA: | 140.96 | NumAromaticRings: | 5 |
Unique Aglycone
AD01211
Formula: C6H5ON4
Smiles:
COc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.13 | Num_heavy_atoms: | 11 |
| TPSA: | 61.47 | NumAromaticRings: | 1 |
AD02410
Formula: C8H5O2Cl
Smiles:
O=C(O)c1ccc(Cl)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.57 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD14758
Formula: C9H7O2Cl
Smiles:
COC(=O)c1ccc(Cl)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.59 | Num_heavy_atoms: | 11 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
