Glycoside
GD130233
Name:
{3,4,5-trihydroxy-6-[(5-hydroxy-2-methoxy-1-oxo-7-phenyl-1H-phenalen-6-yl)oxy]oxan-2-yl}methyl N-carbamoylcarbamateFormula:
C28H26O11N2Smiles:
COC1=Cc2cc(O)c(OC3OC(COC(O)=NC(=N)O)C(O)C(O)C3O)c3c(-c4ccccc4)ccc(c23)C1=OAglycone:
COC(O)=NC(=N)O.COC1=Cc2cc(O)c(O)c3c(-c4ccccc4)ccc(c23)C1=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.25 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 566.52 | Num_heavy_atoms: | 41 |
| TPSA: | 211.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD17500
Formula: C20H14O4
Smiles:
COC1=Cc2cc(O)c(O)c3c(-c4ccccc4)ccc(c23)C1=O| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.33 | Num_heavy_atoms: | 24 |
| TPSA: | 66.76 | NumAromaticRings: | 3 |
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 |
