Glycoside
GD012805
Name:
NoneFormula:
C39H36O16Smiles:
CCOc1ccc(C(=O)OC[C@@H]2O[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](OC(=O)c3ccc(OCC)cc3)[C@H](O)[C@H]2O)cc1Aglycone:
CCOc1ccc(C(=O)O)cc1.CCOc1ccc(C(=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: | 0.26 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 12 |
| MolWt: | 760.7 | Num_heavy_atoms: | 55 |
| 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 |
AD08172
Formula: C9H10O3
Smiles:
CCOc1ccc(C(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD09619
Formula: C10H12O3
Smiles:
CCOc1ccc(C(=O)OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
