Glycoside
GD155591
Name:
FuranocandinFormula:
C45H64O18Smiles:
CCCCCC=CC=CC(O)CC=CC=CC(=O)OC1C(O)C(Oc2c(O)cc(O)cc2CO)OC(CO)C1OC1OC(C(O)COC(=O)C=CC=CCCC(O)CC)C(O)C1OAglycone:
CCC(O)CCC=CC=CC(=O)OCCO.CCCCCC=CC=CC(O)CC=CC=CC(=O)O.OCc1cc(O)cc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 26 |
| MolWt: | 892.99 | Num_heavy_atoms: | 63 |
| TPSA: | 291.82 | 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 |
AD45246
Formula: C12H20O4
Smiles:
CCC(O)CCC=CC=CC(=O)OCCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 228.29 | Num_heavy_atoms: | 16 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD61706
Formula: C7H8O4
Smiles:
OCc1cc(O)cc(O)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.14 | Num_heavy_atoms: | 11 |
| TPSA: | 80.92 | NumAromaticRings: | 1 |
