Glycoside
GD114423
Name:
4,5-dihydroxy-2-methyl-6-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxan-3-yl 3-phenylprop-2-enoateFormula:
C29H36O12Smiles:
CC1OC(OCC2OC(OCCc3ccc(O)cc3)C(O)C(O)C2O)C(O)C(O)C1OC(=O)C=Cc1ccccc1Aglycone:
O=C(O)C=Cc1ccccc1.OCCc1ccc(O)cc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 10 |
| MolWt: | 576.6 | Num_heavy_atoms: | 41 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
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 |
