Glycoside
GD136365
Name:
4-(benzoyloxy)-2-[(benzoyloxy)methyl]-5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)oxolan-3-yl benzoateFormula:
C35H30O7N2Smiles:
Cc1cc2ncn(C3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)c2cc1CAglycone:
COC(=O)c1ccccc1.Cc1cc2c(cc1C)N=C[N]2.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 5.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 590.63 | Num_heavy_atoms: | 44 |
| TPSA: | 105.95 | NumAromaticRings: | 5 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD23668
Formula: C9H9N2
Smiles:
Cc1cc2c(cc1C)N=C[N]2| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 0 |
| MolWt: | 145.19 | Num_heavy_atoms: | 11 |
| TPSA: | 26.46 | NumAromaticRings: | 1 |
