Glycoside
GD125955
Name:
4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl 4-(4-hydroxy-3-methoxyphenyl)but-3-enoateFormula:
C32H42O15Smiles:
COc1cc(C=CCC(=O)OC2C(CO)OC(OCCc3ccc(O)c(OC)c3)C(OC3OC(C)C(O)C(O)C3O)C2O)ccc1OAglycone:
COc1cc(C=CCC(=O)O)ccc1O.COc1cc(CCO)ccc1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 13 |
| MolWt: | 666.67 | Num_heavy_atoms: | 47 |
| TPSA: | 223.29 | 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 |
AD50945
Formula: C11H12O4
Smiles:
COc1cc(C=CCC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
