Glycoside
GD018808
Name:
NoneFormula:
C32H26O8N4Smiles:
COc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1Aglycone:
COC(=O)c1ccccc1.COc1ncnc2c1N=C[N]2.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.19 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 9 |
| MolWt: | 594.58 | Num_heavy_atoms: | 44 |
| TPSA: | 140.96 | NumAromaticRings: | 5 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
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 |
