Glycoside
GD154195
Name:
Fusacandin AFormula:
C51H74O21Smiles:
CCCCCC=CC=CC(=O)OCC1OC(OC2C(CO)OC(c3c(O)cc(O)cc3CO)C(O)C2OC(=O)C=CC=CCC(O)C=CC=CCCCCC)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
CCCCCC=CC=CC(=O)OC.CCCCCC=CC=CC(O)CC=CC=CC(=O)O.OCc1cc(O)cc(O)c1Sugarmoiety:
OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.61 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 27 |
| MolWt: | 1023.13 | Num_heavy_atoms: | 72 |
| TPSA: | 341.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD00088
Formula: C16H24O3
Smiles:
CCCCCC=CC=CC(O)CC=CC=CC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 10 |
| MolWt: | 264.36 | Num_heavy_atoms: | 19 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD00090
Formula: C7H8O3
Smiles:
OCc1cc(O)cc(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
AD10019
Formula: C11H18O2
Smiles:
CCCCCC=CC=CC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.55 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 182.26 | Num_heavy_atoms: | 13 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
