Glycoside
GD120736
Name:
7-(hydroxymethyl)-4-(methoxycarbonyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-5-yl 7-hydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C33H44O21Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CC(OC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C4C3C=CC4(O)CO)C12Aglycone:
COC(=O)C1=COC(O)C2C(CO)=CC(OC(=O)C3=COC(O)C4C3C=CC4(O)CO)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.7 |
| AlogP: | -6.13 | Num_rotatable_bonds: | 11 |
| MolWt: | 776.69 | Num_heavy_atoms: | 54 |
| TPSA: | 330.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD48532
Formula: C21H24O11
Smiles:
COC(=O)C1=COC(O)C2C(CO)=CC(OC(=O)C3=COC(O)C4C3C=CC4(O)CO)C12| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.41 | Num_heavy_atoms: | 32 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
