Glycoside
GD117764
Name:
methyl 6-({3-[4-(acetyloxy)phenyl]prop-2-enoyl}oxy)-4a,7-dihydroxy-7-methyl-1-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C36H42O19Smiles:
COC(=O)C1=COC(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C2C1(O)CC(OC(=O)C=Cc1ccc(OC(C)=O)cc1)C2(C)OAglycone:
COC(=O)C1=COC(O)C2C1(O)CC(OC(=O)C=Cc1ccc(OC(C)=O)cc1)C2(C)O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 12 |
| MolWt: | 778.71 | Num_heavy_atoms: | 55 |
| TPSA: | 252.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD46995
Formula: C22H24O10
Smiles:
COC(=O)C1=COC(O)C2C1(O)CC(OC(=O)C=Cc1ccc(OC(C)=O)cc1)C2(C)O| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.42 | Num_heavy_atoms: | 32 |
| TPSA: | 148.82 | NumAromaticRings: | 1 |
