Glycoside
GD137860
Name:
3-oxo-5-{[3,4,5-tris(acetyloxy)-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H-naphtho[2,3-c]furan-4-yl acetateFormula:
C26H26O13Smiles:
CC(=O)Oc1c2c(cc3cccc(OC4OC(CO)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)c13)COC2=OAglycone:
CC(=O)Oc1c2c(cc3cccc(O)c13)COC2=OSugarmoiety:
CC(=O)OC1C(O)OC(CO)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 546.48 | Num_heavy_atoms: | 39 |
| TPSA: | 170.19 | NumAromaticRings: | 2 |
Unique Aglycone
AD55678
Formula: C14H10O5
Smiles:
CC(=O)Oc1c2c(cc3cccc(O)c13)COC2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 258.23 | Num_heavy_atoms: | 19 |
| TPSA: | 72.83 | NumAromaticRings: | 2 |
