Glycoside
GD134574
Name:
(6-{[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C34H38O11Smiles:
O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)OC1OC(COC(=O)C=Cc2ccc(O)cc2)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=C(CCc1ccc(O)cc1)CC(O)CCc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 14 |
| MolWt: | 622.67 | Num_heavy_atoms: | 45 |
| TPSA: | 183.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD02986
Formula: C19H22O4
Smiles:
O=C(CCc1ccc(O)cc1)CC(O)CCc1ccc(O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 314.38 | Num_heavy_atoms: | 23 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
