Glycoside
GD037023
Name:
NoneFormula:
C24H24O13Smiles:
COc1cc(C(=O)OC[C@@H]2O[C@H](Oc3c(O)c(OC)cc4ccc(=O)oc34)[C@H](O)[C@H](O)[C@H]2O)ccc1OAglycone:
COC(=O)c1ccc(O)c(OC)c1.COc1cc2ccc(=O)oc2c(O)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 520.44 | Num_heavy_atoms: | 37 |
| TPSA: | 194.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD00095
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD09781
Formula: C10H8O5
Smiles:
COc1cc2ccc(=O)oc2c(O)c1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 208.17 | Num_heavy_atoms: | 15 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
