Glycoside
GD137419
Name:
2-heptyl-4-(2-heptyl-4-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)-6-hydroxybenzoic acidFormula:
C34H48O12Smiles:
CCCCCCCc1cc(OC(=O)c2c(CCCCCCC)cc(O)cc2OC2OC(CO)C(O)C(O)C2O)cc(O)c1C(=O)OAglycone:
CCCCCCCc1cc(OC(=O)c2c(O)cc(O)cc2CCCCCCC)cc(O)c1C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 18 |
| MolWt: | 648.75 | Num_heavy_atoms: | 46 |
| TPSA: | 203.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD18528
Formula: C28H38O7
Smiles:
CCCCCCCc1cc(OC(=O)c2c(O)cc(O)cc2CCCCCCC)cc(O)c1C(=O)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 6.75 | Num_rotatable_bonds: | 15 |
| MolWt: | 486.61 | Num_heavy_atoms: | 35 |
| TPSA: | 124.29 | NumAromaticRings: | 2 |
