Glycoside
GD032367
Name:
NoneFormula:
C35H32O11N4Smiles:
COc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)COc2ccccc2)[C@H](OC(=O)COc2ccccc2)[C@H]1OC(=O)COc1ccccc1Aglycone:
COC(=O)COc1ccccc1.COc1ncnc2c1N=C[N]2.O=C(O)COc1ccccc1.O=C(O)COc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.26 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 15 |
| MolWt: | 684.66 | Num_heavy_atoms: | 50 |
| TPSA: | 168.65 | 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 |
AD09882
Formula: C8H8O3
Smiles:
O=C(O)COc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD15027
Formula: C9H10O3
Smiles:
COC(=O)COc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
