Glycoside
GD137491
Name:
methyl 3-ethenyl-4-[6-hydroxy-8-(4-hydroxyphenyl)-4-oxooct-2-en-1-yl]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C29H38O12Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=CC(=O)CC(O)CCc1ccc(O)cc1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC=CC(=O)CC(O)CCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 13 |
| MolWt: | 578.61 | Num_heavy_atoms: | 41 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD55543
Formula: C23H28O7
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC=CC(=O)CC(O)CCc1ccc(O)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 416.47 | Num_heavy_atoms: | 30 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
