Glycoside
GD127517
Name:
3-({5-[(6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydroxy-6-[2-methyl-5-(propan-2-yl)phenoxy]oxan-2-yl}methoxy)-3-oxopropanoic acidFormula:
C28H38O17Smiles:
Cc1ccc(C(C)C)cc1OC1OC(COC(=O)CC(=O)O)C(O)C(O)C1OC1OC(COC(=O)CC(=O)O)C(O)C(O)C1OAglycone:
COC(=O)CC(=O)O.COC(=O)CC(=O)O.Cc1ccc(C(C)C)cc1OSugarmoiety:
OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 13 |
| MolWt: | 646.6 | Num_heavy_atoms: | 45 |
| TPSA: | 265.27 | NumAromaticRings: | 1 |
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 |
AD44034
Formula: C10H14O
Smiles:
Cc1ccc(C(C)C)cc1O| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.22 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
