Glycoside
GD138457
Name:
Stachysoside GFormula:
C30H38O17Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(OC23C=COC(OC4OC(CO)C(O)C(O)C4O)C2C(CO)=CC3O)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.OCC1=CC(O)C2(O)C=COC(O)C12Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.57 |
| AlogP: | -3.89 | Num_rotatable_bonds: | 10 |
| MolWt: | 670.62 | Num_heavy_atoms: | 47 |
| TPSA: | 274.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD05061
Formula: C9H12O5
Smiles:
OCC1=CC(O)C2(O)C=COC(O)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.19 | Num_heavy_atoms: | 14 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
