Glycoside
GD031449
Name:
methyl 6-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-({[5-(methoxycarbonyl)-1-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,8H,8aH-pyrano[3,4-c]pyran-3-yl]oxy}methyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C34H50O20Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)O[C@H](OC[C@@H]3O[C@H](O[C@@H]4OC=C(C(=O)OC)[C@@H]5C[C@H](O)[C@H](C)[C@H]45)[C@H](O)[C@H](O)[C@H]3O)C[C@H]12Aglycone:
COC(=O)C1=COC(O)C2C(C)OC(OC)CC12.COC(=O)C1=COC(O)C2C1CC(O)C2CSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.82 |
| AlogP: | -3.53 | Num_rotatable_bonds: | 10 |
| MolWt: | 778.75 | Num_heavy_atoms: | 54 |
| TPSA: | 288.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD00333
Formula: C11H16O5
Smiles:
COC(=O)C1=COC(O)C2C1CC(O)C2C| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 228.24 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
AD06625
Formula: C12H18O6
Smiles:
COC(=O)C1=COC(O)C2C(C)OC(OC)CC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.27 | Num_heavy_atoms: | 18 |
| TPSA: | 74.22 | NumAromaticRings: | 0 |
