Glycoside
GD154464
Name:
Ainsliaside AFormula:
C30H34O11Smiles:
C=C1C(=O)OC2C1CCC(=C)C1CC(OC3OC(CO)C(O)C(O)C3OC(=O)C=Cc3ccc(O)c(O)c3)C(=C)C12Aglycone:
C=C1C(=O)OC2C1CCC(=C)C1CC(O)C(=C)C12.O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 570.59 | Num_heavy_atoms: | 41 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD04351
Formula: C15H18O3
Smiles:
C=C1C(=O)OC2C1CCC(=C)C1CC(O)C(=C)C12| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 0 |
| MolWt: | 246.31 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
