Glycoside
GD124110
Name:
2-({4-formyl-4a-hydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C25H30O11Smiles:
CC1CCC2(O)C(C=O)=COC(OC3OC(CO)C(O)C(O)C3OC(=O)C=Cc3ccc(O)cc3)C12Aglycone:
CC1CCC2(O)C(C=O)=COC(O)C12.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 506.5 | Num_heavy_atoms: | 36 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD18785
Formula: C10H14O4
Smiles:
CC1CCC2(O)C(C=O)=COC(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 198.22 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
