Glycoside
GD032470
Name:
3-oxo-3-{[3,4,5-trihydroxy-6-({7-methoxy-2-oxo-10-phenyl-3-oxatricyclo[7.3.1.0âµ,¹³]trideca-1(12),5(13),6,8,10-pentaen-8-yl}oxy)oxan-2-yl]methoxy}propanoic acidFormula:
C28H26O12Smiles:
COc1cc2c3c(ccc(-c4ccccc4)c3c1O[C@@H]1O[C@H](COC(=O)CC(=O)O)[C@H](O)[C@H](O)[C@H]1O)C(=O)OC2Aglycone:
COC(=O)CC(=O)O.COc1cc2c3c(ccc(-c4ccccc4)c3c1O)C(=O)OC2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 554.5 | Num_heavy_atoms: | 40 |
| TPSA: | 178.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD17275
Formula: C19H14O4
Smiles:
COc1cc2c3c(ccc(-c4ccccc4)c3c1O)C(=O)OC2| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 306.32 | Num_heavy_atoms: | 23 |
| TPSA: | 55.76 | NumAromaticRings: | 3 |
