Glycoside
GD152900
Name:
ParishinFormula:
C45H56O25Smiles:
O=C(CC(O)(CC(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)C(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
O=C(CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1)OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.53 |
| AlogP: | -4.74 | Num_rotatable_bonds: | 20 |
| MolWt: | 996.92 | Num_heavy_atoms: | 70 |
| TPSA: | 397.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD56682
Formula: C27H26O10
Smiles:
O=C(CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1)OCc1ccc(O)cc1| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 11 |
| MolWt: | 510.5 | Num_heavy_atoms: | 37 |
| TPSA: | 159.82 | NumAromaticRings: | 3 |
