Glycoside
GD124281
Name:
Saprosmoside GFormula:
C32H42O21Smiles:
O=C(O)C1=COC(OC2OC(COC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C4C(CO)=CC(O)C34)C(O)C(O)C2O)C2C(CO)=CC(O)C12Aglycone:
COC(=O)C1=COC(O)C2C(CO)=CC(O)C12.O=C(O)C1=COC(O)C2C(CO)=CC(O)C12Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.69 |
| AlogP: | -6.21 | Num_rotatable_bonds: | 11 |
| MolWt: | 762.67 | Num_heavy_atoms: | 53 |
| TPSA: | 341.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD06108
Formula: C10H12O6
Smiles:
O=C(O)C1=COC(O)C2C(CO)=CC(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.2 | Num_heavy_atoms: | 16 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
AD07800
Formula: C11H14O6
Smiles:
COC(=O)C1=COC(O)C2C(CO)=CC(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
