Glycoside
GD140119
Name:
3-methoxy-4-({3,4,5-trihydroxy-6-[(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)methyl]oxan-2-yl}oxy)benzoic acidFormula:
C28H34O16Smiles:
COc1cc(C(=O)O)ccc1OC1OC(COC(=O)c2ccc(OC3OC(CO)C(O)C(O)C3O)c(C)c2)C(O)C(O)C1OAglycone:
COC(=O)c1ccc(O)c(C)c1.COc1cc(C(=O)O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 10 |
| MolWt: | 626.56 | Num_heavy_atoms: | 44 |
| TPSA: | 251.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD08832
Formula: C8H8O4
Smiles:
COc1cc(C(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD56494
Formula: C9H10O3
Smiles:
COC(=O)c1ccc(O)c(C)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
