Glycoside
GD109156
Name:
NoneFormula:
C30H31O7N3Smiles:
COc1ccc(C(O[C@@H]2[C@@H](CO)O[C@@H](n3ccc(N)nc3=O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1Aglycone:
COc1ccc(C(O)(c2ccccc2)c2ccc(OC)cc2)cc1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 545.59 | Num_heavy_atoms: | 40 |
| TPSA: | 138.29 | NumAromaticRings: | 4 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD44523
Formula: C21H20O3
Smiles:
COc1ccc(C(O)(c2ccccc2)c2ccc(OC)cc2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 320.39 | Num_heavy_atoms: | 24 |
| TPSA: | 38.69 | NumAromaticRings: | 3 |
