Glycoside
GD131563
Name:
6-(2-hydroxy-4-methyl-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}phenoxy)-2-methoxy-3-{3-methyl-1-[(3,4,5-trihydroxyoxan-2-yl)oxy]butyl}benzoic acidFormula:
C31H42O15Smiles:
COc1c(C(CC(C)C)OC2OCC(O)C(O)C2O)ccc(Oc2c(O)cc(C)cc2COC2OCC(O)C(O)C2O)c1C(=O)OAglycone:
COc1c(C(O)CC(C)C)ccc(Oc2c(O)cc(C)cc2CO)c1C(=O)OSugarmoiety:
OC1COC(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.58 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 12 |
| MolWt: | 654.66 | Num_heavy_atoms: | 46 |
| TPSA: | 234.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD44535
Formula: C21H26O7
Smiles:
COc1c(C(O)CC(C)C)ccc(Oc2c(O)cc(C)cc2CO)c1C(=O)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
