Glycoside
GD154675
Name:
(6-{[4-(3,4-dimethoxyphenyl)butan-2-yl]oxy}-3,5-dihydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C33H44O15Smiles:
COc1ccc(CCC(C)OC2OC(COC(=O)C=Cc3ccc(O)c(O)c3)C(O)C(OC3OC(C)C(O)C(O)C3O)C2O)cc1OCAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COc1ccc(CCC(C)O)cc1OCSugarmoiety:
CC1OC(OC2C(O)C(O)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 13 |
| MolWt: | 680.7 | Num_heavy_atoms: | 48 |
| TPSA: | 223.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD61410
Formula: C12H18O3
Smiles:
COc1ccc(CCC(C)O)cc1OC| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 210.27 | Num_heavy_atoms: | 15 |
| TPSA: | 38.69 | NumAromaticRings: | 1 |
