Glycoside
GD158337
Name:
[3,5-dihydroxy-4,6-bis({[3-(4-methoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methyl 3-(4-methoxyphenyl)prop-2-enoateFormula:
C36H36O12Smiles:
COc1ccc(C=CC(=O)OCC2OC(OC(=O)C=Cc3ccc(OC)cc3)C(O)C(OC(=O)C=Cc3ccc(OC)cc3)C2O)cc1Aglycone:
COC(=O)C=Cc1ccc(OC)cc1.COc1ccc(C=CC(=O)O)cc1.COc1ccc(C=CC(=O)O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 13 |
| MolWt: | 660.67 | Num_heavy_atoms: | 48 |
| TPSA: | 156.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD02513
Formula: C10H10O3
Smiles:
COc1ccc(C=CC(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD11989
Formula: C11H12O3
Smiles:
COC(=O)C=Cc1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.21 | Num_heavy_atoms: | 14 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
