Glycoside
GD002114
Name:
NoneFormula:
C35H32O8N4Smiles:
COc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)Cc2ccccc2)[C@H](OC(=O)Cc2ccccc2)[C@H]1OC(=O)Cc1ccccc1Aglycone:
COC(=O)Cc1ccccc1.COc1ncnc2c1N=C[N]2.O=C(O)Cc1ccccc1.O=C(O)Cc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.26 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 12 |
| MolWt: | 636.66 | Num_heavy_atoms: | 47 |
| TPSA: | 140.96 | NumAromaticRings: | 5 |
Unique Aglycone
AD00908
Formula: C9H10O2
Smiles:
COC(=O)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD00909
Formula: C8H8O2
Smiles:
O=C(O)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | 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 |
