Glycoside
GD124154
Name:
methyl 4-{2-[6-(2,3-dihydroxybenzoyloxy)-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carbonyloxy]ethyl}-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C40H52O22Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(OC(=O)c1cccc(O)c1O)C2CAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CCOC(=O)C1=COC(O)C2C1CC(OC(=O)c1cccc(O)c1O)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 14 |
| MolWt: | 884.83 | Num_heavy_atoms: | 62 |
| TPSA: | 336.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD50134
Formula: C28H32O12
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CCOC(=O)C1=COC(O)C2C1CC(OC(=O)c1cccc(O)c1O)C2C| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 560.55 | Num_heavy_atoms: | 40 |
| TPSA: | 178.28 | NumAromaticRings: | 1 |
