Glycoside
GD030759
Name:
NoneFormula:
C43H44O16Smiles:
CCOc1ccc(CCC(=O)OC[C@@H]2O[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](OC(=O)CCc3ccc(OCC)cc3)[C@H](O)[C@H]2O)cc1Aglycone:
CCOc1ccc(CCC(=O)O)cc1.CCOc1ccc(CCC(=O)OC)cc1.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 4.63 | Num_rotatable_bonds: | 16 |
| MolWt: | 816.81 | Num_heavy_atoms: | 59 |
| TPSA: | 241.11 | NumAromaticRings: | 5 |
Unique Aglycone
AD00377
Formula: C15H10O7
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
AD10553
Formula: C11H14O3
Smiles:
CCOc1ccc(CCC(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 194.23 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD19897
Formula: C12H16O3
Smiles:
CCOc1ccc(CCC(=O)OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 208.26 | Num_heavy_atoms: | 15 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
