Glycoside
GD139748
Name:
(6-{[9-(2H-1,3-benzodioxol-5-yl)-7-methoxy-1-oxo-1H,3H-naphtho[2,3-c]furan-6-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetateFormula:
C28H26O12Smiles:
COc1cc2c(-c3ccc4c(c3)OCO4)c3c(cc2cc1OC1OC(COC(C)=O)C(O)C(O)C1O)COC3=OAglycone:
COC(C)=O.COc1cc2c(-c3ccc4c(c3)OCO4)c3c(cc2cc1O)COC3=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 554.5 | Num_heavy_atoms: | 40 |
| TPSA: | 159.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD56354
Formula: C20H14O6
Smiles:
COc1cc2c(-c3ccc4c(c3)OCO4)c3c(cc2cc1O)COC3=O| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 350.33 | Num_heavy_atoms: | 26 |
| TPSA: | 74.22 | NumAromaticRings: | 3 |
