Glycoside
GD107293
Name:
NoneFormula:
C31H40O11N8Smiles:
Cc1ncnc2c1ncn2[C@H]1O[C@@H](COC(=O)CCCCCCCCC(=O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]cnc43)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OAglycone:
COC(=O)CCCCCCCCC(=O)OC.Cc1ncnc2c1N=C[N]2.O=c1[nH]cnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 15 |
| MolWt: | 700.71 | Num_heavy_atoms: | 50 |
| TPSA: | 259.15 | NumAromaticRings: | 4 |
Unique Aglycone
AD00418
Formula: C6H5N4
Smiles:
Cc1ncnc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
AD01144
Formula: C5H3ON4
Smiles:
O=c1[nH]cnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.21 | NumAromaticRings: | 1 |
AD03328
Formula: C12H22O4
Smiles:
COC(=O)CCCCCCCCC(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 9 |
| MolWt: | 230.3 | Num_heavy_atoms: | 16 |
| TPSA: | 52.6 | NumAromaticRings: | 0 |
