Glycoside
GD139593
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 4-hydroxy-3-methoxybenzoateFormula:
C33H44O18Smiles:
COc1cc(C(=O)OC2C(C)OC(OCC3OC(OCCc4ccc(O)cc4)C(O)C(O)C3O)C(O)C2OC2OCC(O)C(O)C2O)ccc1OAglycone:
COc1cc(C(=O)O)ccc1O.OCCc1ccc(O)cc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 12 |
| MolWt: | 728.7 | Num_heavy_atoms: | 51 |
| TPSA: | 272.98 | NumAromaticRings: | 2 |
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 |
AD08832
Formula: C8H8O4
Smiles:
COc1cc(C(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
