Glycoside
GD143379
Name:
4-hydroxy-3-(hydroxymethyl)-4-methyl-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)cyclopentyl 3,4-dimethoxybenzoateFormula:
C24H36O12Smiles:
COc1ccc(C(=O)OC2CC(C)(O)C(CO)C2CCOC2OC(CO)C(O)C(O)C2O)cc1OCAglycone:
COc1ccc(C(=O)OC2CC(C)(O)C(CO)C2CCO)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 10 |
| MolWt: | 516.54 | Num_heavy_atoms: | 36 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD57672
Formula: C18H26O7
Smiles:
COc1ccc(C(=O)OC2CC(C)(O)C(CO)C2CCO)cc1OC| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.61 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 354.4 | Num_heavy_atoms: | 25 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
