Glycoside
GD148583
Name:
9-(2H-1,3-benzodioxol-5-yl)-7-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H-naphtho[2,3-c]furan-1-oneFormula:
C26H24O11Smiles:
COc1cc2c(-c3ccc4c(c3)OCO4)c3c(cc2cc1OC1OC(CO)C(O)C(O)C1O)COC3=OAglycone:
COc1cc2c(-c3ccc4c(c3)OCO4)c3c(cc2cc1O)COC3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 512.47 | Num_heavy_atoms: | 37 |
| TPSA: | 153.37 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
