Glycoside
GD007361
Name:
NoneFormula:
C26H28O11Smiles:
COC(=O)O[C@@H]1[C@H](CO)O[C@H](Oc2cc(C)cc(O)c2C(=O)CCc2ccc3occc3c2)[C@H](O)[C@H]1OAglycone:
COC(=O)O.Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 516.5 | Num_heavy_atoms: | 37 |
| TPSA: | 165.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD02786
Formula: C18H16O4
Smiles:
Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 296.32 | Num_heavy_atoms: | 22 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
AD06001
Formula: C2H4O3
Smiles:
COC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 76.05 | Num_heavy_atoms: | 5 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
