Glycoside
GD125932
Name:
4-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl 3-(3,4-dimethoxyphenyl)prop-2-enoateFormula:
C37H50O19Smiles:
COc1cc(CCOC2OC(CO)C(OC(=O)C=Cc3ccc(OC)c(OC)c3)C(OC3OC(C)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)ccc1OAglycone:
COc1cc(CCO)ccc1O.COc1ccc(C=CC(=O)O)cc1OCSugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 15 |
| MolWt: | 798.79 | Num_heavy_atoms: | 56 |
| TPSA: | 271.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD00176
Formula: C9H12O3
Smiles:
COc1cc(CCO)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.19 | Num_heavy_atoms: | 12 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
AD09650
Formula: C11H12O4
Smiles:
COc1ccc(C=CC(=O)O)cc1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
