Glycoside
GD145238
Name:
7-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl 3,4-dimethoxybenzoateFormula:
C24H32O12Smiles:
COc1ccc(C(=O)OC2CC(C)(O)C3C(OC4OC(CO)C(O)C(O)C4O)OC=CC23)cc1OCAglycone:
COc1ccc(C(=O)OC2CC(C)(O)C3C(O)OC=CC23)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 512.51 | Num_heavy_atoms: | 36 |
| TPSA: | 173.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD58313
Formula: C18H22O7
Smiles:
COc1ccc(C(=O)OC2CC(C)(O)C3C(O)OC=CC23)cc1OC| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 350.37 | Num_heavy_atoms: | 25 |
| TPSA: | 94.45 | NumAromaticRings: | 1 |
