Glycoside
GD128329
Name:
5-(acetyloxy)-2-{[9-(2H-1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-1H,3H-naphtho[2,3-c]furan-4-yl]oxy}-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-3-yl acetateFormula:
C42H48O23Smiles:
COc1cc2c(OC3OC(COC4OCC(O)C(O)C4O)C(OC(C)=O)C(OC4OC(CO)C(O)C(O)C4O)C3OC(C)=O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Aglycone:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Sugarmoiety:
CC(=O)OC1C(O)OC(COC2OCC(O)C(O)C2O)C(OC(C)=O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 13 |
| MolWt: | 920.82 | Num_heavy_atoms: | 65 |
| TPSA: | 312.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD00663
Formula: C21H16O7
Smiles:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 380.35 | Num_heavy_atoms: | 28 |
| TPSA: | 83.45 | NumAromaticRings: | 3 |
