Glycoside
GD029785
Name:
NoneFormula:
C25H30O15Smiles:
COc1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@](O)(COC(=O)c3ccc(O)c(O)c3)[C@H]2O)ccc1OAglycone:
COC(=O)c1ccc(O)c(O)c1.COc1cc(O)ccc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 570.5 | Num_heavy_atoms: | 40 |
| TPSA: | 234.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD00096
Formula: C7H8O3
Smiles:
COc1cc(O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
AD13436
Formula: C8H8O4
Smiles:
COC(=O)c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
