Glycoside
GD005173
Name:
FUCATOSIDE CFormula:
C33H42O19Smiles:
O=C(C=Cc1ccc(O)c(O)c1)O[C@H]1[C@H](CO)O[C@@H](OCCc2ccc(O)c(O)c2)[C@@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.OCCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(OC2OCC(O)(CO)C2O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.55 |
| AlogP: | -2.94 | Num_rotatable_bonds: | 14 |
| MolWt: | 742.68 | Num_heavy_atoms: | 52 |
| TPSA: | 304.21 | NumAromaticRings: | 2 |
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 |
AD00128
Formula: C8H10O3
Smiles:
OCCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
