Glycoside
GD023459
Name:
9-(2H-1,3-benzodioxol-5-yl)-4-[(4,5-dimethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6,7-dimethoxy-1H,3H-naphtho[2,3-c]furan-1-oneFormula:
C34H38O16Smiles:
COc1cc2c(O[C@@H]3OC[C@H](OC)[C@H](OC)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Aglycone:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Sugarmoiety:
COC1COC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OCOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 702.66 | Num_heavy_atoms: | 50 |
| TPSA: | 199.52 | 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 |
