Glycoside
GD123550
Name:
Matterionate BFormula:
C29H34O13Smiles:
Cc1c(O)c2c(c(C)c1OC1OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C1O)OC(c1ccccc1)CC2=OAglycone:
COC(=O)CC(C)(O)CC(=O)O.Cc1c(O)c(C)c2c(c1O)C(=O)CC(c1ccccc1)O2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 590.58 | Num_heavy_atoms: | 42 |
| TPSA: | 209.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD01854
Formula: C7H12O5
Smiles:
COC(=O)CC(C)(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
AD49877
Formula: C17H16O4
Smiles:
Cc1c(O)c(C)c2c(c1O)C(=O)CC(c1ccccc1)O2| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.31 | Num_heavy_atoms: | 21 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
