Glycoside
GD011240
Name:
NoneFormula:
C27H30O8N4Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(Cn4cncn4)cc(=O)oc3c2C)OC1(C)CAglycone:
Cc1c(O)ccc2c(Cn3cncn3)cc(=O)oc12.Cc1ccc(C(=O)O)[nH]1Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 538.56 | Num_heavy_atoms: | 39 |
| TPSA: | 150.93 | NumAromaticRings: | 4 |
Unique Aglycone
AD00152
Formula: C6H7O2N
Smiles:
Cc1ccc(C(=O)O)[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 53.09 | NumAromaticRings: | 1 |
AD08613
Formula: C13H11O3N3
Smiles:
Cc1c(O)ccc2c(Cn3cncn3)cc(=O)oc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 257.25 | Num_heavy_atoms: | 19 |
| TPSA: | 81.15 | NumAromaticRings: | 3 |
