Glycoside
GD135972
Name:
3-oxo-3-{[3,4,5-trihydroxy-6-({26-methoxy-4,12,18-trioxahexacyclo[19.2.2.1³,¹¹.1¹³,¹â·.0âµ,¹â°.0¹â´,²â·]heptacosa-1(23),5,7,9,13,15,17(26),21,24-nonaen-7-yl}oxy)oxan-2-yl]methoxy}propanoic acidFormula:
C34H34O13Smiles:
COc1c2ccc3c1OC1c4ccc(OC5OC(COC(=O)CC(=O)O)C(O)C(O)C5O)cc4OC(Cc4ccc(cc4)CCO2)C31Aglycone:
COC(=O)CC(=O)O.COc1c2ccc3c1OC1c4ccc(O)cc4OC(Cc4ccc(cc4)CCO2)C31Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 10 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 650.63 | Num_heavy_atoms: | 47 |
| TPSA: | 179.67 | 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 |
AD54968
Formula: C25H22O5
Smiles:
COc1c2ccc3c1OC1c4ccc(O)cc4OC(Cc4ccc(cc4)CCO2)C31| HBA: | 5 | RingCount: | 9 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 4.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 402.45 | Num_heavy_atoms: | 30 |
| TPSA: | 57.15 | NumAromaticRings: | 3 |
