Glycoside
GD145854
Name:
5-hydroxy-2-methyl-6-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C34H44O17Smiles:
CC1OC(OCC2OC(OCCc3ccc(O)cc3)C(O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1OC(=O)C=Cc1ccc(O)cc1Aglycone:
O=C(O)C=Cc1ccc(O)cc1.OCCc1ccc(O)cc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.56 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 12 |
| MolWt: | 724.71 | Num_heavy_atoms: | 51 |
| TPSA: | 263.75 | NumAromaticRings: | 2 |
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 |
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 |
