Glycoside
GD017224
Name:
1-O-Caffeoyl-Beta-D-Apiofuranosyl-(1->6)-Beta-D-GlucopyranosideFormula:
C20H26O13Smiles:
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -3.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 474.42 | Num_heavy_atoms: | 33 |
| TPSA: | 215.83 | NumAromaticRings: | 1 |
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 |
