Glycoside
GD137605
Name:
F-16438 GFormula:
C43H66O20Smiles:
CC(=O)OC(C(=O)OC(C)CCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O)C(O)C(O)C(COC(=O)CC(=O)O)OC1OC(CO)C(O)C(O)C1OC(C)=OAglycone:
CCCCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O.O=CCC(=O)OSugarmoiety:
CC(=O)OC(C(=O)OO)C(O)C(O)C(COO)OC1OC(CO)C(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.72 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 31 |
| MolWt: | 902.98 | Num_heavy_atoms: | 63 |
| TPSA: | 319.64 | NumAromaticRings: | 1 |
Unique Aglycone
AD15612
Formula: C24H40O3
Smiles:
CCCCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 7.5 | Num_rotatable_bonds: | 17 |
| MolWt: | 376.58 | Num_heavy_atoms: | 27 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD55581
Formula: C3H4O3
Smiles:
O=CCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.06 | Num_heavy_atoms: | 6 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
