Glycoside
GD126367
Name:
4-formyl-3-[2-oxo-2-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)ethyl]hex-4-enoic acidFormula:
C23H30O11Smiles:
CC=C(C=O)C(CC(=O)O)CC(=O)OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1OAglycone:
CC=C(C=O)C(CC(=O)O)CC(=O)OC.OCCc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 12 |
| MolWt: | 482.48 | Num_heavy_atoms: | 34 |
| TPSA: | 180.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD03863
Formula: C8H10O2
Smiles:
OCCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD51125
Formula: C10H14O5
Smiles:
CC=C(C=O)C(CC(=O)O)CC(=O)OC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 214.22 | Num_heavy_atoms: | 15 |
| TPSA: | 80.67 | NumAromaticRings: | 0 |
