Glycoside
GD136527
Name:
1-{[6-({[4-(3,4-dihydroxyphenyl)but-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-hydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C26H32O13Smiles:
CC1C(O)CC2C(C(=O)O)=COC(OC3OC(COC(=O)C=CCc4ccc(O)c(O)c4)C(O)C(O)C3O)C21Aglycone:
CC1C(O)CC2C(C(=O)O)=COC(O)C21.COC(=O)C=CCc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 552.53 | Num_heavy_atoms: | 39 |
| TPSA: | 212.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD07728
Formula: C10H14O5
Smiles:
CC1C(O)CC2C(C(=O)O)=COC(O)C21| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 214.22 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
AD52714
Formula: C11H12O4
Smiles:
COC(=O)C=CCc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
