Glycoside
GD134553
Name:
(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 6-{1,6-dihydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carbonyloxy}-1-hydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C33H42O15Smiles:
CC1C(O)CC2C(C(=O)OC3CC4C(C(=O)OCc5ccc(OC6OC(CO)C(O)C(O)C6O)cc5)=COC(O)C4C3C)=COC(O)C21Aglycone:
CC1C(O)CC2C(C(=O)OC3CC4C(C(=O)OCc5ccc(O)cc5)=COC(O)C4C3C)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 678.68 | Num_heavy_atoms: | 48 |
| TPSA: | 231.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD54432
Formula: C27H32O10
Smiles:
CC1C(O)CC2C(C(=O)OC3CC4C(C(=O)OCc5ccc(O)cc5)=COC(O)C4C3C)=COC(O)C21| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 516.54 | Num_heavy_atoms: | 37 |
| TPSA: | 151.98 | NumAromaticRings: | 1 |
