Glycoside
GD005005
Name:
1,7-bis(4-hydroxyphenyl)-5-[(3,4,5-trihydroxy-6-{[(3,4,4-trihydroxyoxolan-2-yl)oxy]methyl}oxan-2-yl)oxy]heptan-3-oneFormula:
C29H38O13Smiles:
O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2OCC(O)(O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(CCc1ccc(O)cc1)CC(O)CCc1ccc(O)cc1Sugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 13 |
| MolWt: | 594.61 | Num_heavy_atoms: | 42 |
| TPSA: | 215.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD02986
Formula: C19H22O4
Smiles:
O=C(CCc1ccc(O)cc1)CC(O)CCc1ccc(O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 314.38 | Num_heavy_atoms: | 23 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
