Glycoside
GD148545
Name:
9-(2H-1,3-benzodioxol-5-yl)-4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-7-hydroxy-6-methoxy-1H,3H-naphtho[2,3-c]furan-1-oneFormula:
C25H22O11Smiles:
COc1cc2c(OC3OCC(O)(CO)C3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1O)C(=O)OC3Aglycone:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1O)C(=O)OC3Sugarmoiety:
OCC1(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 498.44 | Num_heavy_atoms: | 36 |
| TPSA: | 153.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD59441
Formula: C20H14O7
Smiles:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1O)C(=O)OC3| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 366.33 | Num_heavy_atoms: | 27 |
| TPSA: | 94.45 | NumAromaticRings: | 3 |
