Glycoside
GD037377
Name:
7-[(acetyloxy)methyl]-4-({[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]oxy}methyl)-7-hydroxy-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoateFormula:
C32H42O14Smiles:
CC(=O)OC[C@]1(O)CC[C@@H]2C(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3OC(=O)C=Cc3ccc(O)cc3)=CO[C@H](OC(=O)CC(C)C)[C@H]21Aglycone:
CC(=O)OCC1(O)CCC2C(CO)=COC(OC(=O)CC(C)C)C21.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 12 |
| MolWt: | 650.67 | Num_heavy_atoms: | 46 |
| TPSA: | 207.74 | NumAromaticRings: | 1 |
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 |
AD23552
Formula: C17H26O7
Smiles:
CC(=O)OCC1(O)CCC2C(CO)=COC(OC(=O)CC(C)C)C21| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 342.39 | Num_heavy_atoms: | 24 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
