Glycoside
GD123314
Name:
4-(2H-1,3-benzodioxol-5-yl)-9-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6,7-dimethoxy-2H,3H-naphtho[2,3-b]furan-3-oneFormula:
C32H34O16Smiles:
COc1cc2c(OC3OCC(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)CO3Aglycone:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)CO3Sugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 674.61 | Num_heavy_atoms: | 48 |
| TPSA: | 221.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD49752
Formula: C21H16O7
Smiles:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)CO3| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 380.35 | Num_heavy_atoms: | 28 |
| TPSA: | 83.45 | NumAromaticRings: | 3 |
