Glycoside
GD151028
Name:
7-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C24H30O12Smiles:
CC1(O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1(O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C2C=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 510.49 | Num_heavy_atoms: | 36 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD60274
Formula: C18H20O7
Smiles:
CC1(O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C2C=COC(O)C21| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 348.35 | Num_heavy_atoms: | 25 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
