Glycoside
GD154569
Name:
Pescaprein XvFormula:
C71H114O25Smiles:
CCCCCCCCCCCC(=O)OC1C(OC2C(C)OC3OC4C(OC(CCCCC)CCCCCCCCCC(=O)OC2C3O)OC(C)C(O)C4O)OC(C)C(OC2OC(C)C(OC(=O)C(C)C)C(O)C2OC(=O)C=Cc2ccccc2)C1OC1OC(C)C(O)C(O)C1OAglycone:
CC(C)C(=O)O.CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(O1)OC(C)C(O)C3O)C2O.CCCCCCCCCCCC(=O)O.O=C(O)C=Cc1ccccc1Sugarmoiety:
CC1OC(OC2C(C)OC(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | 7.21 | Num_rotatable_bonds: | 26 |
| MolWt: | 1367.67 | Num_heavy_atoms: | 96 |
| TPSA: | 339.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD00188
Formula: C12H24O2
Smiles:
CCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 10 |
| MolWt: | 200.32 | Num_heavy_atoms: | 14 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD00350
Formula: C4H8O2
Smiles:
CC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD01626
Formula: C28H50O10
Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(O1)OC(C)C(O)C3O)C2O| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.96 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 546.7 | Num_heavy_atoms: | 38 |
| TPSA: | 144.14 | NumAromaticRings: | 0 |
