Glycoside
GD116254
Name:
4-o-[(6'-o-allophanyl)-beta-d-glucopyranosyl]-2-methoxy-9-phenyl-1h-phena+Formula:
C28H26O10N2Smiles:
COC1=Cc2c(OC3OC(COC(O)=NC(=N)O)C(O)C(O)C3O)ccc3ccc(-c4ccccc4)c(c23)C1=OAglycone:
COC(O)=NC(=N)O.COC1=Cc2c(O)ccc3ccc(-c4ccccc4)c(c23)C1=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.25 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 550.52 | Num_heavy_atoms: | 40 |
| TPSA: | 191.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD46131
Formula: C3H6O3N2
Smiles:
COC(O)=NC(=N)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 85.9 | NumAromaticRings: | 0 |
AD46132
Formula: C20H14O3
Smiles:
COC1=Cc2c(O)ccc3ccc(-c4ccccc4)c(c23)C1=O| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.33 | Num_heavy_atoms: | 23 |
| TPSA: | 46.53 | NumAromaticRings: | 3 |
