Glycoside
GD145432
Name:
4,5-dihydroxy-6-(hydroxymethyl)-2-{[6-(hydroxymethyl)-2-oxo-3,9-dioxatricyclo[5.3.1.0â´,¹¹]undeca-1(10),5-dien-8-yl]oxy}oxan-3-yl 7-[(acetyloxy)methyl]-5-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C34H42O21Smiles:
CC(=O)OCC1=CC(O)C2C(C(=O)OC3C(OC4OC=C5C(=O)OC6C=C(CO)C4C56)OC(CO)C(O)C3O)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC(=O)OCC1=CC(O)C2C(C(=O)O)=COC(O)C12.O=C1OC2C=C(CO)C3C(O)OC=C1C23Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.68 |
| AlogP: | -5.16 | Num_rotatable_bonds: | 11 |
| MolWt: | 786.69 | Num_heavy_atoms: | 55 |
| TPSA: | 316.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD14053
Formula: C12H14O7
Smiles:
CC(=O)OCC1=CC(O)C2C(C(=O)O)=COC(O)C12| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 270.24 | Num_heavy_atoms: | 19 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD14606
Formula: C10H10O5
Smiles:
O=C1OC2C=C(CO)C3C(O)OC=C1C23| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 210.19 | Num_heavy_atoms: | 15 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
