Glycoside
GD152797
Name:
6-[2-(3,4-dihydroxyphenyl)-2-methoxyethoxy]-5-hydroxy-2-{[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]methyl}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C36H48O21Smiles:
COC(COC1OC(COCC2OC(O)C(O)C(O)C2O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C(OC2OC(C)C(O)C(O)C2O)C1O)c1ccc(O)c(O)c1Aglycone:
COC(CO)c1ccc(O)c(O)c1.O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(COCC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.58 |
| AlogP: | -3.05 | Num_rotatable_bonds: | 14 |
| MolWt: | 816.76 | Num_heavy_atoms: | 57 |
| TPSA: | 333.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD11661
Formula: C9H12O4
Smiles:
COC(CO)c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 69.92 | NumAromaticRings: | 1 |
